Research At COMSATS

Computational Chemistry

Dr. Umer Rashid

	Designation:	Associate Professor
	Email:	umerrashid@cuiatd.edu.pk
	Phone No. :	N/A
	Role:	Faculty
	Research Interests:	1- Computer Aided Drug Design and Synthesis 2- Microwave Assisted Organic Synthesis 3- Computational Chemistry

Academics/ Degrees

PhD Quaid-e-Azam University, Islamabad, 2011.

Personal research website link

https://medchemdd.com

Profile/Bio

Feb. 2016 to continued	Assistant Professor, Department of Chemistry, COMSATS University Islamabad, Abbottabad Campus
Aug. 24, 2011 to Feb. 24, 2016	Assistant Professor, Department of Chemistry, Hazara University Mansehra
Feb. - Aug. 2009	Plant Manager, Neomedix Pharmaceuticals, Plot No. 5, N /5 National Industrial Zone, Rawat, Islamabad
Aug 2005 –Jan 2009	Manager QC and R & D, Neomedix Pharmaceuticals, Plot No. 5, N /5 National Industrial Zone, Rawat, Islamabad
Oct. 1997 to July. 2005	Analyst/Manager QC Islamabad Pharmaceutical Products, 34, Industrial Triangle, Islamabad.

Administrative Experience:

Feb. - Aug. 2009	Plant Manager, Neomedix Pharmaceuticals, Plot No. 5, N /5 National Industrial Zone, Rawat, Islamabad
Aug 2005 –Jan 2009	Manager QC and R & D, Neomedix Pharmaceuticals, Plot No. 5, N /5 National Industrial Zone, Rawat, Islamabad

SEMINARS/ WORKSHOPS:

Resource person, Basic Tools in Bioinformatics: Molecular Modelling Workshop, Department of Biotechnology, G.C University, Lahore (March 7-8, 2019)
Speaker, First International Conference on Drug Discovery against Cancer and other diseases (Feb 11-12, 2019) University of Swabi
Resource person, Molecular Modeling Workshop at Government Sadiq Women University, Bahawalpur (November 28-29, 2018)

Projects

Tailoring The Substitution Pattern On Indanone And Thiazolidinedione Core For Targeting Enzymes Associated With Alzheimer's Disease: Design, Synthesis And Biological Evaluations

Structure-Based Design And Optimization Of Dihydropyrimidine-Pteridine Analogues As Inhibitors Of Leishmania Pteridine Reductase And Dihydrofolate Reductase

Publications/Papers

2024

Journal

Muhammad Imran Qayyum, Abdul Sadiq,U. Rashid "N-phenyl and N-benzyl substituted succinimides: Preclinical evaluation for their antihypertensive effect and underlying mechanism" , European Journal of Pharmacology , 2024

Mater H. Mahnashi ,U. Rashid,Meshari A. Alsuwat "Mater H. Mahnashi, Umer Rashid*, Hassan Hussain Almasoudi, Mohammed H. Nahari, Imran Ahmad, Abdulkarim S. Binshaya, Osama Abdulaziz, Meshari A. Alsuwat, Muhammad Saeed Jan, and Abdul Sadiq. Modification of 4-(4-chlorothiophen-2-yl)thiazol-2-amine derivatives for the treatment of analgesia and inflammation: synthesis and in vitro, in vivo, and in silico studies Frontiers in Pharmacology (Accepted) DOI 10.3389/fphar.2024.1366695" , Frontiers in Pharmacology , 2024

Fahad Hussain,U. Rashid,Muhammad Saeed Jan,Ayesha Tahir "Exploitation of the multitarget role of new ferulic and gallic acid derivatives in oxidative stress-related Alzheimer's disease therapies: design, synthesis and bioevaluation" , Royal Society of Chemistry , 2024

Abdur Rauf,U. Rashid,Momina Ghafoor,Zuneera Akram "In vitro and in silico antiproliferative potential of isolated flavonoids constitutes from Pistacia integerrima" , Zeitschrift fur Naturforschung - Section C Journal of Biosciences , 2024

Abdur Rauf,U. Rashid,Zafar Ali Shah,Anees Ahmed Khalil, "Abdur Rauf, Umer Rashid, Zafar Ali Shah, Anees Ahmed Khalil, Muhammad Shah, Tabussam Tufail, Gauhar Rehman, Abdur Rahman, Saima Naz, Abdulrahman Alsahammari, Metab Alharbi, Abdulmajeed AL-Shahrani and Dorota Formanowicz. Anti-Inflammatory and Anti-Diabetic Properties of Indanone Derivative Isolated from Fernandoa adenophylla in vitro and in silico Studies. Scientific Reports (Nature) Accepted 15-4-2024" , Scientific reports , 2024

Ayesha Tahir,,U. Rashid,Bushra Mobeen,Fahad Hussain "Pregnenolone derivatives for the treatment of Alzheimer's disease: synthesis, and in vitro inhibition of amyloid β1–42 peptide aggregation, acetylcholinesterase and carbonic anhydrase-II" , RSC Advances , 2024

Gowhar Ali ,U. Rashid,Farrah Deeba "Gowhar Ali, Farrah Deeba, Umer Rashid, Aman Ullah, Hammad Ullah, Inayat Ali Khan, Syed Ishtiaq Khan, Amin Badshah, Muhammad Arif Khan, Muhammad Ayaz g, Maria Daglia. In vivo effects of a selected thiourea derivative 1-(2-chlorobenzoyl)-3-(2,3-dichloro phenyl) against nociception, inflammation and gastric ulcerogenicity: Biochemical, histopathological and in silico approaches Biomedicine and Phrmacotherapy. 174 (2024) 116544" , Biomedicine & Pharmacotherapy , 2024

Gauhar Rehman,Abdur Rauf,U. Rashid,Arshma Siddique "Antidiabetic Properties of Caffeoylmalic Acid, a Bioactive Natural Compound Isolated from Urtica dioica" , Fitoterapia , 2024

Aniqa ATTA ,Abdur RAUF ,U. Rashid "Anticancer potential and in-silico computational studies of bioactive secondary metabolites isolated from Heterophragma adenophyllum (Wall. ex G. Don) Steenis" , Minerva Biotechnology and Biomolecular Research , 2024

Abdur Rauf,U. Rashid,Najla Al Masoud,Anees Saeed "In vivo analgesic, anti-inflammatory, sedative, muscle relaxant activities, and docking studies of 3’,4’,7,8-tetrahydroxy-3-methoxyflavone isolated from Pistacia chinensis" , Drug Target Insights , 2024

Waqas Alam,U. Rashid,Haroon Khan "Synthesis, in-vitro inhibition of cyclooxygenases and in silico studies of new isoxazole derivatives" , Frontiers in chemistry , 2024

Bushra Mobeen,U. Rashid,Muhammad Shah,et al "Discovery of the selective and nanomolar inhibitor of DPP-4 more potent than sitagliptin by structure-guided rational design" , European Journal of Medicinal Chemistry , 2024

A.Mumtaz,U. Rashid,Dr. Jamshed Iqbal "1. Evaluation of 3,4-diethoxy substituted Thioureas and Their Thiazole Derivatives as Potent anti-Alzheimer’s agents: Synthesis, DFT, Biological Activity and Molecular Modeling Investigations" , Journal of Molecular Structure ,Volume 1314 ,Page 138760 , 2024

2023

Journal

, Shivani Sharma,Paras Nath Yadav,U. Rashid,Abdur Rauf,Et al "Platinum (II) Complexes of 3-Hydroxypyridine-2-Carboxaldehyde, N(4)-Methyl and N(4)- Pyrrolidinyl Thiosemicarbazones: Synthesis, Characterization, and Primary Anticancer Screening against HeLa Cells, and Molecular Docking" , Current Indian Science , 2023

Muhammad Imran Qayyum, Sami Ullah, Obaidullah,U. Rashid "Design, synthesis and preclinical evaluations of (s)-2-((s)-1-benzyl-2,5-dioxopyrrolidin-3-yl)-3-(4-isopropylphenyl)-2-methylpropanal (succ-5) as cardioprotective, hepatoprotective and lipid lowering molecule. in-vivo and in-silico approaches" , Arabian Journal of Chemistry ,Volume 16 ,Issue 2 , 2023

U. Rashid,U.Farooq "Evaluation of pyrimidine/pyrrolidine-sertraline based hybrids as multitarget anti-Alzheimer agents: In-vitro, in-vivo, and computational studies" , Biomedicine & Pharmacotherapy ,Volume 159 , 2023

U. Rashid "Synthesis, Characterization, and Pharmacokinetic Studies of Thiazolidine-2,4-Dione Derivatives" , Journal of Chemistry , 2023

Mater H. Mahnashi ,Muhammad Saeed Jan,U. Rashid,Waqas Alam "Exploration of Succinimide Derivative as a Multi-Target, Anti-Diabetic Agent: In Vitro and In Vivo Approaches." , Molecules , 2023

Mohammed A. Huneif ,U. Rashid,Mater H. Mahnashi,Abdul Sadiq "New Succinimide–Thiazolidinedione Hybrids as Multitarget Antidiabetic Agents: Design, Synthesis, Bioevaluation, and Molecular Modelling Studies." , Molecules , 2023

Nargis Sultana,Muhammad Ramzan Saeed Ashraf Janjua,U. Rashid,Muhammad Sarfraz "Reactivity of 2,2-Disubstituted Quinazolinone Towards Electrophilic Substitution: First In-Silico Design to Verify Experimental Evidence of Quinazolinone-based New Organic Compounds." , Journal of Physical Organic Chemistry , 2023

Haleema Ali,Abdur Rauf,U. Rashid,Rasool Khan,Xiandao Pan,--- et al "Synthesis, characterization, anticancer, anti-inflammatory activities, and docking studies of 3,5-disubstituted thiadiazine-2-thiones" , Green Processing and Synthesis ,Volume 12 ,Page 20228136 , 2023

Abdur Rauf ,Giovanni Ribaudo,U. Rashid,Zafar Ali Shah,Gauhar Rehman,--- et al "Anti-inflammatory and Anti-diabetic Activity of Ferruginan, a Natural Compound from Olea ferruginea" , Processes ,Volume 11 , 2023

Imene Bayach,Khurshid Ayub,U. Rashid,Atazaz Ahsin,Safi Ullah Majid,Nadeem S. Sheikh "Geometric, electronic, and optoelectronic properties of carbon-2 based polynuclear C3O[C(CN)2]2M3 (where M=Li, Na, and K) 3 clusters; A DFT study" , Molecules , 2023

Qarib Ullah,Gowhar Ali,U. Rashid,Zarshad Ali,et al "Involvement of the Opioidergic Mechanism in the Analgesic Potential of a Novel Indazolone Derivative: Efficacy in the Management of Pain, Neuropathy, and Inflammation Using In Vivo and In Silico Approaches" , ACS Omega ,Volume 8 ,Issue 25 ,Page 22809–22819 , 2023

Aneela Gohar,K.Rauf,U. Rashid,Yasser MSA Alkahraman "Effect of Gabapentin-Fluoxetine Derivative GBP1F in a Murine Model of Depression, Anxiety and Cognition" , Drug Design, Development and Therapy ,Volume 2023 ,Page 1793—1803 , 2023

Abdur Rauf,U. Rashid,et al "Flavonoids from Pistacia chinensis subsp. integerrima with leishmanicidal activity: computational and experimental evidence" , Natural Product Research , 2023

Muhammad Shah,U. Rashid,S. Khan,Abdul Sadiq,Muhammad Saeed Jan "SAR and lead optimization of (Z)-5-(4-hydroxy-3-methoxybenzylidene)-3-(2-morpholinoacetyl) thiazolidine-2,4-dione as a potential multi-target antidiabetic agent" , European Journal of Medicinal Chemistry ,Volume 258 ,Page 115591 , 2023

Abdullah S. M. Aljohani,Khurshid Ayub,U. Rashid, Tareq Abu-Izneid,Zafar Ali Shah, Abdur Rauf, Naveed Muhammad,Fahad A. Alhumaydhi,Maria Asghar,Mohammad S. Mubarak,Mohammad Ali Shariati, Haiyuan Zhang "Density Functional Theory, molecular docking and in vivo muscle relaxant, sedative, and analgesic studies of Indanone derivatives isolated from Heterophragma adenophyllum" , Journal of Biomolecular Structure and Dynamics ,Volume 39 ,Issue 17 ,Page 6488-6499 , 2023

M.Ali,R.Ahmad,U. Rashid,Iftikhar Zeb "Prediction of Phytochemicals for Their Potential to Inhibit New Delhi Metallo β-Lactamase (NDM-1)" , Pharmaceuticals ,Volume 16 ,Issue 10 , 2023

K. Shahzadi,S. Khan,S. M. Bukhari,A. Zaidi,T. A. Wani,M. S. Jan,S. Zargar,U. Rashid,U.Farooq,A. Khushal "Novel Coumarin Derivatives as Potential Urease Inhibitors for Kidney Stone Prevention and Antiulcer Therapy: From Synthesis to In Vivo Evaluation" , pharmaceuticals ,Volume 16 ,Issue 11 ,Page 1552 , 2023

Abdur Rauf,U. Rashid,Bassam Oudh Aljohny ,et al "In vitro anti-inflammatory, antidiabetic, antibacterial, and in silico studies of Ferruginan A isolated from Olea ferruginea Royle (Oleaceae)" , Saudi Pharmaceutical Journal , 2023

Hasnain Mehmood,Tashfeen Akhtar,U. Rashid,et al "Synthesis of hydrazinylthiazole carboxylates:a mechanistic approach for treatment of diabetes and its complications" , Future Medicinal Chemistry , 2023

Zainab Ayaz,U. Rashid,Ali.M,et al "Prediction of Phytochemicals for Their Potential to Inhibit New Delhi Metallo -Lactamase (NDM-1). " , Pharmaceuticals , 2023

U. Rashid,Abdur Rauf,Bushra Mobeen "Antiproliferative Activity of Lignans from Olea ferruginea: In Vitro Evidence Supported by Docking Studies" , Front. Biosci. (Landmark Ed) , 2023

Taghrid S. AlOmar,Abdur Rauf,U. Rashid,et al "Molecular docking, DFT studies, and anti-inflammatory evaluation of peshawaraquinone isolated from Fernandoa adenophylla" , J Biomol Struct Dyn , 2023

Sehrish Sarfaraz,U. Rashid,Muhammad Yar "Metallofullerenes as robust single atom catalysts for adsorption and dissociation of hydrogen molecule: A density functional study. " , ACS Omega , 2023

2022

Journal

Mater H. Mahnashi,U. Rashid,Abdul Sadiq,Bandar A. Alyami,Yahya S. Alqahtani,Ali O. Alqarni,Muhammad Saeed Jan "Antioxidant molecules isolated from edible prostrate knotweed: Rational 1 derivatization to produce more potent molecules" , Oxidative Medicine and Cellular Longevity , 2022

Zafar Ali Shah,Abdur Rauf,U. Rashid,Adil A. H. Mujawah,Irfan Ullah,,Anees Ahmed Khalil, Syed Muhammad Mukarram Shah "Antioxidant and Cytotoxic Activity of a New Ferruginan A from Olea ferruginea: In Vitro and In Silico Studies. " , Oxidative Medicine and Cellular Longevity ,Volume 2022 ,Page 8519250 , 2022

Aisha,Muhammad AsamRaza,U. Rashid,Umme Farwa,Jan K. Maurin,Armand Budzianowski "Synthesis, single crystal, in-silico and in-vitro assessment of the thiazolidinones" , Journal of Molecular Structure ,Volume 1255 ,Page 132384 , 2022

Mehreen Ghias,Muhammad Naeem Ahmed,Mario A. Macías ,U. Rashid,Bakhtawar Sajjad,Mahmoud A .A . Ibrahim,Syed Wadood Ali Shah "1-Hydroxynaphthalene-4-trifluoromethylphenyl chalcone and 3–hydroxy-4-trifluoromethylphenyl flavone: A combined experimental, structural, in vitro AChE, BChE and in silico studies. " , Journal of Molecular Structure ,Volume 1253 ,Page 132253 , 2022

Mater H. Mahnashi,U. Rashid,Bandar A. Alyami,,Yahya S. Alqahtani,,Ali O. Alqarni,Muhammad Saeed Jan,,Abdul Sadiq "Molecular Docking Supported Observed Changes in Anticholinesterase, Antioxidant and α-Glucosidase Inhibitions upon the Bromination of Benzene Sulfonamide" , J Chem Soc. Pakistan , 2022

Muhammad Shahid Nadeem,U. Rashid,Jalaluddin Azam Khan,Imran Kazmi "Design, synthesis and bioevaluation of indole core containing 2-arylidine derivatives of thiazolopyrimidine as multitarget inhibitors of cholinesterases and monoamine oxidase A/B for the treatment of Alzheimer disease" , ACS Omega , 2022

Mohammed A. Huneif,U. Rashid,Abdul Sadiq,Dhafer Batti Alshehri,Khaled S. Alshaibar,Mayasa Z. Dammaj,Mater H. Mahnashi,Safi Ullah Majid,Muhammad Aamir Javed,Sajjad Ahmad "Design, synthesis and bioevaluation of new vanillin hybrid as multitarget inhibitor of α-glucosidase, α-amylase, PTP-1B and DPP4 for the treatment of type-II diabetes" , Biomedicine & Pharmacotherapy ,Volume 150 ,Page 113038 , 2022

Bilal Ahmad Khan,Cristian C. Granados , Mario A. Mac´ias,U. Rashid,Syeda Shamila Hamdani ,,Muhammad Naeem Ahmed,Shahid Hameed "Design, Synthesis, Crystal Structures, Computational Studies, in vitro and in silico Monoamine Oxidase-A&B Inhibitory Activity of Two Novel S-Benzyl Dithiocarbamates" , Journal of Molecular Structure , 2022

Abdullah S. M. Aljohani,Abdur Rauf,U. Rashid,Fahad A. Alhumaydhi,Essam M. Hamad "In Vivo and in vitro biological evaluation and molecular docking studies of compound isolated from Micromeria biflora (Buch. Ham. ex D.Don) Benth" , Molecules , 2022

Abdul Sadiq,Mater H. Mahnashi,U. Rashid,Muhammad Saeed Jan,Mohammed Abdulrahman Alshahrani,Mohammed A. Huneif "3-(((1S,3S)-3-((R)-Hydroxy(4-(trifluoromethyl)phenyl)methyl)-4-oxocyclohexyl)methyl)pentane-2,4-dione: Design and Synthesis of New Stereopure Multi-Target Antidiabetic Agent" , Molecules , 2022

Zainab Ayaz,Dr. AM Abbasi,U. Rashid,Bibi Zainab,Noura M. Darwish "In Silico Screening of Synthetic and Natural Compounds to Inhibit the Binding Capacity of Heavy Metal Compounds against EGFR Protein of Lung Cancer" , BioMed Research International ,Volume 2941962 , 2022

U. Rashid,Ikram Muhammad "Rational design, synthesis, antiproliferative activity against MCF-7, MDA-MB-231 cells, estrogen receptors binding affinity, and computational study of indenopyrimidine-2,5-dione analogs for the treatment of breast cancer" , Bioorg Med Chem Lett. , 2022

Muhammad Aamir Javed,U. Rashid,U.Farooq,A. Zaidi,Saba Bibi,Abdul Sadiq,Muhammad Saeed Jan "Diclofenac derivatives as concomitant inhibitors of cholinesterase, monoamine oxidase, cyclooxygenase-2 and 5-lipoxygenase for the treatment of Alzheimer’s disease: Synthesis, pharmacology, toxicity and docking studies." , RSC Advances ,Volume 12 ,Page 22503–22517 , 2022

Wajeeha Waseem,Fareeha Anwar,U. Rashid,Uzma Saleem,Bashir Ahmad,Abdul Sadiq,Muhammad Saeed Jan "Prospective Evaluation of Amide Based Zinc Scaffold as Anti-Alzheimer Agent: In-Vitro, In-Vivo and Computational Studies" , ACS Omega ,Volume 7 ,Page 26723−26737 , 2022

Sana Shamim,Somia Gul,U. Rashid,Abdur Rauf,Ajmal Khan,Rafat Amin,Faiza Akhtar "Gemifloxacin-transition metal complexes as therapeutic candidates: antimicrobial, antifungal, anti-enzymatic and docking studies of newly synthesized complexes" , Heliyon ,Volume 8 ,Page e10378 , 2022

Hassan A. Hemeg,Abdur Rauf,U. Rashid,Naveed Muhammad,Et al "In vitro α-glycosidase inhibition and in silico studies of Flavonoids isolated from Pistacia integerrima Stew ex Brandis. " , BioMed Research International ,Volume 2022 , 2022

Muhammad Imran Qayyum,Sami Ullah,U. Rashid,Abdul Sadiq,et al "Synthesis, molecular docking and preclinical evaluation of new succinimide derivative for cardioprotective, hepatoprotective and lipid lowering effects" , Molecules , 2022

W. Zada,A. Mannan,U. Rashid,et al "Fatty acid amide hydrolase inhibition and N-arachidonoylethanolamine modulation by isoflavonoids: A novel target for upcoming antidepressants. " , Pharmacology Research & Perspectives ,Volume 10 , 2022

Ridha Jadoon,U. Rashid,Muhammad Aamir Javed,Muhammad Saeed Jan ,Mater H. Mahnashi ,Abdul Sadiq ,Muhammad Shahid "Design, synthesis, in-vitro, in-vivo and ex-vivo pharmacology of thiazolidine-2,4-dione derivatives as selective and reversible monoamine oxidase-B inhibitors" , Bioorganic & Medicinal Chemistry Letters , 2022

Hassan A. Hemeg,Abdur Rauf ,U. Rashid,et al "In-Vitro Leishmanicidal Activity and Molecular Docking Simulations of a Flavonoid Isolated from Pistacia integerrima Stew ex Brandis." , . Journal of Food Quality , 2022

Book/Chapter

Nishant Rai,Abdul Rauf,U. Rashid,Pramond Rawat "Sustainable uses of medicinal plants and prospects; Chapter title, Characterization and docking studies of immunomodulatory active compounds from Rhododendron arboreum leaves" , Sustainable uses of medicinal plants and prospects, Taylor and Francis Books , 2022

2021

Journal

Fahad A. Alhumaydhi,Abdullah S. M. Aljohani,U. Rashid,Zafar Ali Shah,Abdur Rauf,Naveed Muhammad,Yahya Saleh Mohamed Al-Awthan,Omar Salem Bahattab "n Vivo Antinociceptive, Muscle Relaxant, Sedative, and Molecular Docking Studies of Peshawaraquinone Isolated from Fernandoa adenophylla (Wall. ex G. Don) Steenis" , ACS Omega ,Volume 6 ,Page 996−1002 , 2021

Saud BAWAZER1,U. Rashid,Asghar KHAN,Abdur RAUF,Taibi Ben HADDA,Yahya Saleh Mohamed AL-AWTHAN,Omar Salem BAHATTAB,Inamullah KHAN "POM Analysis and Computational Interactions of 8-Hydroxydiospyrin Inside Active Site of Protein Tyrosine Phosphatase 1B. " , BIOCELL ,Volume 45 ,Page 751-759 , 2021

Muhammad Alam,U. Rashid,Ghias Uddin,Abdur Rauf,Muslim Raza,Syed Muhammad Mukarram Shah,Syed Uzair Ali Shah "In vitro and in silico xanthine oxidase inhibitory potential of Benzofuran and Allopurinol isolated from Viburnum grandiflorum Wall. Ex DC" , South African Journal of Botany , 2021

U. Rashid,Ikram Muhammad,Muhammad Bilal Tufail,Muhammad Aamir Javed,Mater H. Mahnashi,Bandar A. Alyami,Abdul Sadiq "Synthesis, pharmacological evaluation and Molecular modelling studies of pregnenolone derivatives as inhibitors of human dihydrofolate reductase" , Steroids ,Volume 168 ,Page 108801 , 2021

Muhammad Naeem Ahmed,SadiaShabbir,Bakhtawar Batool,T. Mahmood,U. Rashid,Khawaja Ansar Yasin,Muhammad Nawaz Tahir,M. L. Arias Cassará,Diego M.Gil "A New Insight into Non-covalent Interactions in 1,4-Disubstituted 1H-1,2,3-Triazole: Synthesis, X-ray structure, DFT calculations, in vitro Lipoxygenase Inhibition (LOX) and in silico Studies" , Journal of Molecular Structure ,Volume 1236 ,Page 130283 , 2021

MuhammadAlam,Ghias Uddin,U. Rashid,AbdurRauf,Muslim Raza,Syed Muhammad Mukarram Shah,et al., "In vitro and in silico xanthine oxidase inhibitory potential of Benzofuran isolated from Viburnum grandiflorum Wall. Ex DC" , In vitro and in silico xanthine oxidase inhibitory potential of Benzofuran isolated from Viburnum grandiflorum Wall. Ex DC , 2021

Fahad A. Alhumaydhi,U. Rashid,Abdur Rauf,Saud Bawazeer,Khalid Khan,Mohammad Mubarak,Abdullah S. M. Aljohani,Haroon Khan,et al., "In vivo and in silico studies of flavonoids isolated from Pistacia integerrima as potential anti-diarrheal agents" , ACS Omega , 2021

Dr. AM Abbasi,U. Rashid "Novel Vaccine Design Based on Genomics Data Analysis-A Review. " , Scandinavian Journal of Immunology, , 2021

Mohammed Mansour Quradha,Rasool Khan,,Achyut Adhikari,Abdur Rauf,U. Rashid,Sami Bawazeer,Yahya S. Al-Awthan,Omar Bahattab,Mohammad S. Mubarak "Isolation, Biological Evaluation, and Molecular Docking Studies of Compounds from Sophora mollis (Royle) Graham Ex Baker" , ACS Omega , ,Volume 6 ,Page 15911−15919 , 2021

Shehla Parveen,U. Rashid,Hammad Saleem,Muhammad Sarfraz,UmairKhurshid,Maroof Habib,Mamona Nazir,Naseem Akhtar,Faiz-Ul-Hassan Nasim,Ghayoor AbbasChotana "Phytochemical profiling, In vitro antioxidant and identification of urease inhibitory metabolites from Erythrina suberosa flowers by GC-MS analysis and docking studies" , South African Journal of Botany , 2021

Abdur Rauf,U. Rashid,Anees Ahmed Khalil,Shahid Ali Khan,Sirajudheen Anwar,Ahmed Alafnan,Kannan RR Rengasamy "Docking-based virtual screening and identification of potential COVID-19 main protease inhibitors from brown algae" , South African Journal of Botany , 2021

Yahya S.,Al-Awthan,Omar Bahattab,Zafar Ali Shah,Saud Bawazeer,Mohammad Ali Shariati,Mohamad Fawzi Mahomoodally,Sirajudheen Anwar,Kannan RR Rengasamy,U. Rashid,Abdur Rauf "Potent urease inhibition and in silico docking study of four secondary metabolites isolated from Heterophragma adenophyllum Seem" , South African Journal of Botany , 2021

Dr. AM Abbasi,U. Rashid "Role of persistent organic pollutants in Breast Cancer Progres-sion and Identification of Estrogen Receptor Alpha Inhibitors using In-silico Mining and Drug-drug Interaction Network Approaches" , Biology , 2021

U. Rashid,Muhammad Aamir Javed,Nighat Ashraf,Muhammad Saeed Jan,Mater H. Mahnashi,Yahya S. Alqahtani,Bandar A. Alyami, Ali O. Alqarni,Yahya I. Asiri,Abdul Sadiq "Structural modification, in-vitro, in-vivo, ex-vivo and in-silico exploration of pyrimidine and pyrrolidine cores for targeting enzymes associated with neuroinflammation and cholinergic deficit in Alzheimer's disease. " , ACS Chemical Neuroscience ,Volume 12 ,Issue 21 ,Page 4123-4143 , 2021

Muhammad Shahid Nadeem,U. Rashid,Jalaluddin Azam Khan "Fluoxetine and Sertraline based Multitarget Inhibitors of Cholinesterases and Monoamine Oxidase-A/B for the treatment of Alzheimer's Disease: Synthesis, Pharmacology and Molecular Modeling Studies. " , Journal of Biological Macromolecules ,Volume 193   ,Page 19–26 , 2021

Mater H. Mahnashi,Abdul Sadiq,U. Rashid,Yahya S. Alqahtani,Ali O. Alqarni,Bandar A. Alyami,Muhammad Saeed Jan,Muhammad Ayaz,Farhat Ullah "Crude extract and isolated bioactive compounds from Notholirion thomsonianum (Royale) Stapf as multitargets antidiabetic agents: in-vitro and molecular docking approaches" , BMC Complementary Medicine and Therapies ,Volume 21 ,Page 270 , 2021

Mater H. Mahnashi,Abdul Sadiq,U. Rashid,Bandar A. Alyami,Yahya S. Alqahtani,Ali O. Alqarni,Muhammad Saeed Jan,Muhammad Ayaz "Neuroprotective potentials of selected natural edible oils using enzyme inhibitory, kinetic and simulation approaches." , BMC Complement Med Ther ,Volume 21 ,Page 248 , 2021

Ala Ud Din,Abdur Rauf,U. Rashid,Maria Khan,Muhammad Zahir Shah,Anees Ahmed Khalil,Khair Zaman,------,Naveed Muhammad "Antidiabetic Activity of Ficusonolide, a Triterpene Lactone from Ficus foveolata (Wall. ex Miq.): In Vitro, In Vivo, and In Silico Approaches" , ACS Omega ,Volume 6 ,Issue 41 ,Page 27351–27357 , 2021

Yahya S.Al-Awthan,AbdurRauf,U. Rashid,SamiBawazeer,Saima Naz,-------,Hafiz Ansar RasulSuleria "Sedative-hypnotic effect and in silico study of dinaphthodiospyrols isolated from Diospyros lotus Linn" , Biomedicine & Pharmacotherapy ,Volume 140 ,Page 111745 , 2021

Abdul Sadiq,U. Rashid,Mater H. Mahnashi,Bandar A. Alyami,Yahya S Alqahtani,Ali O. Alqarni "Tailoring the substitution pattern of Pyrrolidine-2,5-dione for discovery of new structural template for dual COX/LOX inhibition" , Bioorganic Chemistry ,Volume 112 ,Page 104969 , 2021

Jawad Khan,Gowhar Ali,U. Rashid,Rasool Khan,Muhammad Saeed Jan,------,RobertD.E. Sewell "Mechanistic evaluation of a novel cyclohexenone derivative’s functionality against nociception and inflammation: An in-vitro, in-vivo and in-silico approach" , European Journal of Pharmacology ,Volume 902 ,Page 174091 , 2021

Mater H. Mahnashi,U. Rashid,Abdul Sadiq,Bandar A. Alyami,Yahya S.Alqahtani,Muhammad SaeedJan "Phytochemical profiling of bioactive compounds, anti-inflammatory and analgesic potentials of Habenaria digitata Lindl.: Molecular docking based synergistic effect of the identified compounds" , Journal of Ethnopharmacology ,Volume 273 ,Page 113976 , 2021

Maria Bibi,U. Rashid,U.Farooq,Farhan Khan,Naveeda AkhterQureshi,Abdul Sadiq,------ "Exploring the ability of dihydropyrimidine-5-carboxamide and 5- benzyl-2,4-diaminopyrimidine-based analogues for the selective inhibition of L. major dihydrofolate reductase" , European Journal of Medicinal Chemistry ,Volume 210 ,Page 112986 , 2021

Abdur Rauf,Kannan RR Rengasamy,U. Rashid,Saud Bawazeer,----- "Antiglycation and enzyme inhibitory potential of salicylalazine isolated from Micromeria biflora (Buch.-Ham.ex D.Don) Benth" , South African Journal of Botany ,Volume 143 ,Page 344-349 , 2021

U. Rashid,Ikram Muhammad "Structural Modification, In Vitro, In Vivo, Ex Vivo, and In Silico Exploration of Pyrimidine and Pyrrolidine Cores for Targeting Enzymes Associated with Neuroinflammation and Cholinergic Deficit in Alzheimer's Disease" , ACS Chemical Neuroscience , 2021

2020

Journal

Muhammad Umar Farooq,U. Rashid,Muhammad Waseem Mumtaz,Hamid Mukhtar,Muhammad Tayyab Akhtar,Syed Ali Raza,Muhammad Nadeem "UHPLC-QTOF-MS/MS based phytochemical characterization and anti-hyperglycemic prospective of hydro-ethanolic leaf extract of Butea monosperma" , Nature Scientific Reports ,Volume 10 ,Page 3530 , 2020

Muhammad Saeed Jan,Sajjad Ahmad,Fida Hussain,Ashfaq Ahmad,Fawad Mahmood,U. Rashid,Obaid-ur-Rahman Abid,Farhat Ullah,Muhammad Ayaz,Abdul Sadiq "Design, Synthesis, In-vitro, In-vivo and In-silico studies of Pyrrolidine-2,5-dione Derivatives as Multitarget Anti-inflammatory Agents" , European Journal Medicinal Chemistry ,Volume 186 ,Page 1118632 , 2020

Saif Al-Hosni,U. Rashid,Tania Shamim Rizvi,Ajmal Khan,Liaqat Ali,Najeeb Ur Rehman,Javid Hussian,Abdul Latif Khan,Ahmed Al-Harrasi "Diketopeprazin and Methyl-5-docosenoate from endophytic fungi Aureobasidium pollulan BSS6 with α-Glucosidase Inhibition and its validation through Molecular Docking" , South African Journal of Botany , 2020

Muhammad Nadeem,U. Rashid, Muhammad Waseem Mumtaz,Muhammad Danish,Hamid Mukhtar "UHPLC-QTOF-MS/MS Metabolites profiling and antioxidant/antidiabetic attributes of Cuscuta reflexa grown on Casearia tomentosa: Exploring phytochemicals role via molecular docking" , International Journal of food Properties , 2020

Muhammad Nadeem,U. Rashid,Muhammad Waseem Mumtaz,Muhammad Danish,Hamid Mukhtar,Ahmad Irfan "Antidiabetic functionality of Vitex negundo leave based on UHPLC-QTOF-MS/MS based bioactives profiling and molecular Docking insights" , Industrial Crops and Products , 2020

Abdur Rauf,U. Rashid,Tareq Abu-Izneid,Fahad Alhumaydhi,Saud Bawazeer,Anees Ahmed Khalil,Abdullah S. M. Aljohani,Emad Mohamed Abdallah,Abdel Rahman Al-Tawaha,Godswill Ntsomboh-Ntsefong "Anti-inflammatory, anti-bacterial, toxicological profile, and in-silico studies of dimeric naphthoquinones from Diospyros lotus" , BioMed Research International , 2020

Aaima Iftikhar,M. S. Khan,U. Rashid,Q.Mahmood,Habiba Zaffar,M.Bilal,N. Riaz "Influence of metallic species for efficient photocatalytic water disinfection: bactericidal mechanism of in vitro results using docking simulation." , Environmental Science and Pollution Research ,Volume 2020 ,Issue 27 ,Page 39819–39831 , 2020

Abida Munir, Adil Khushal, Kiran Saeed,Abdul Sadiq, Rahim Ullah, Gowhar Ali,Zaman Ashraf, Ehsan Ullah Mughal,Muhammad Saeed Jan,Izhar Hussain,A.Mumtaz,U. Rashid "Synthesis, invitro, in vivo antiinflmmatory activity and molecular docking studies of aceyl and salicylic acid substituted hydrazide derivatives" , Bioorganic Chemistry ,Volume 104 ,Page 104168 , 2020

Zia Uddin,U. Rashid "Evaluation of Cholinesterase Inhibitory Potential of Diﬀerent Genotypes of Ziziphus nummularia, Their HPLC-UV, and Molecular Docking Analysis" , Molecules , 2020

M. Ali,S. M. Bukhari,A. Zaidi,Farhan Khan,U. Rashid,N. Tahir,B. Rabbani,U.Farooq "Inhibition Profiling of Urease and Carbonic Anhydrase II by high-throughput Screening and Molecular Docking Studies of Structurally Diverse Organic Compounds" , Letters in Drug Design & Discovery , 2020

U. Rashid,Ashfaq Ahmad,Farhat Ullah,Abdul Sadiq,Muhammad Ayaz,Haroon Rahim,Sajjad Ahmad,Muhammad Saeed Jan "Comparative Cholinesterase, α-Glucosidase Inhibitory, Antioxidant, Molecular Docking, and Kinetic Studies on Potent Succinimide Derivatives" , Drug Design, Development and Therapy ,Volume 14 ,Page 2165–2178 , 2020

Abdur Rauf,U. Rashid,Fahad A. Alhumaydhi,Abdullah S.M. Aljohani,Yahya Saleh Mohamed Al-Awthan,Omar Salem Bahattab,Muhammad Saleem "Naphthoquinones from Diospyros lotus as potential urease inhibitors: In vitro and in silico studies" , South African Journal of Botany , 2020

Muhammad Danish,Muhammad Asam Raza,Sana Iftikhar,Muhammad Waseem Mumtaz,Muhammad Nawaz Tahir,U. Rashid,Khurshid Ayub "Synthesis, single-crystal X-ray diffraction, and in vitro biological evaluation of sodium, cobalt, and tin complexes of o-nitro-/o-methoxyphenylacetic acid: experimental and theoretical investigation" , Monatshefte für Chemie - Chemical Monthly ,Volume 151 ,Page 1727–1736 , 2020

Abdul Sadiq,U. Rashid,Sadiq Ahmad,Mohammad Zahoor,Mohamed F. AlAjmi ,Riaz Ullah,Omar M. Noman,Farhat Ullah "Treating Hyperglycemia From Eryngium caeruleum M. Bieb: In-vitro α-Glucosidase, Antioxidant, in-vivo Antidiabetic and Molecular Docking-Based Approaches" , Frontiers in Chemistry ,Volume 8 , 2020

Zafar Ali Shah,U. Rashid,Tareq Abu-Izneid,Abdur Rauf,Maria Nizam,Naveed Muhammad,Kannan RR Rengasamy "Phosphodiesterase 1 inhibition and molecular docking study of phytochemicals isolated from stem heartwood of Hetterophragma adenophyllum Seem" , South African Journal of Botany ,Volume 135 ,Page 274-279 , 2020

Durdana Waseem,Gul Majid Khan,Ihsan-ul Haq,U. Rashid,Deeba NadeemSyed "The triphenyltin carboxylate derivative triphenylstannyl 2-(benzylcarbamoyl)benzoate impedes prostate cancer progression via modulation of Akt/FOXO3a signaling" , Toxicology and Applied Pharmacology ,Volume 401 ,Page 115091 , 2020

Naveen Kosar,Khurshid Ayub,U. Rashid,Faizan Ullah,Muhammad Imran,Muhammad Naeem Ahmed "Theoretical investigation of halides encapsulated Na@B40 nanocages for potential applications as anodes for sodium ion batteries" , Materials Science in Semiconductor Processing ,Volume 121 ,Page 105437 , 2020

N. Riaz,• Aaima Iftikhar,M. S. Khan,U. Rashid,Q.Mahmood,H.Zaffar,M.Bilal "Influence of metallic species for efficient photocatalytic water disinfection: bactericidal mechanism of in vitro results using docking simulation " , Influence of metallic species for efficient photocatalytic water disinfection: bactericidal mechanism of in vitro results using docking simulation , 2020

Book/Chapter

Muahmmad Naveed Anjum ,U. Rashid,Shoaib Ahmad Malik ,Choudhary Haseeb Bilal, Muhammad Nasif, Khalid Mahmood Zia "Polyhydroxyalkanoates-based bionanocomposites. Bionanocomposites; Green Synthesis and Applications: Micro and Nano Technologies" , Bionanocomposites; Green Synthesis and Applications: Micro and Nano Technologies , 2020

2019

Journal

Saba TahirTanoli,Muhammad Ramzan,Abbas Hassan,Abdul Sadiq,Muhammad Saeed Jan,Farhan A. Khan,Farhat Ullah,Haseen Ahmad,Maria Bibi,T. Mahmood,U. Rashid "Design, synthesis and bioevaluation of tricyclic fused ring system as dual binding site acetylcholinesterase inhibitors" , Bioorganic Chemistry ,Volume 83 ,Page 336-347 , 2019

U.Farooq,S. Naz,A. Shams,Y. Raza,A. Ahmed,U. Rashid,A. Sadiq "Isolation of dihydrobenzofuran derivatives from ethnomedicinal species Polygonum barbatum as anticancer compounds" , BMC Biological Research ,Volume 52 ,Issue 01 ,Page 12 pages , 2019

Gulraiz Ahmad,U. Rashid,Nasir Rasool,Khurshid Ayub,T. Mahmood,Komal Rizwan,Atif Ali Altaf,Mohd Zobir Hussein "Role of pyridine nitrogen in palladium catalyzed imine hydrolysis; A case study of (E)-1-(3-bromothiophen-2-yl)-N-(4-methylpyridin-2-yl)methanimine. " , Molecules ,Volume 24 ,Issue 2609 ,Page 1-13 , 2019

Muhammad Taha,Noor Barak Almandil,Muhammad Ali,U. Rashid,Mohamed Ibrahim,Mohammed Gollapalli,Ashik Mosaddik,Khalid Mohammed Khan "2,5-Disubstituted thiadiazoles as potent β-glucuronidase inhibitors; Synthesis, in vitro and in silico studies" , Bioorganic Chemistry ,Volume 91 ,Page 103126 , 2019

Fida Hussain,Zeeshan Khan,Muhammad Saeed Jan,Sajjad Ahmad,Ashfaq Ahmad,U. Rashid,Farhat Ullah,Muhammad Ayaz,Abdul Sadiq "Synthesis, in-vitro α-glucosidase inhibition, antioxidant, in-vivo antidiabetic and molecular docking studies of pyrrolidine-2,5-dione and thiazolidine-2,4- dione derivatives" , Bioorganic Chemistry ,Volume 91 ,Page 103128 , 2019

Muhammad Arshad,Muhammad Waseem Mumtaz,Ayoub Rashid Chaudhary,U. Rashid,Mukhtar Ali,Hamid Mukhtar,Ahmad Adnan,Syed Ali Raza "Metabolite profiling of Cycas revoluta leaf extract and docking studies on alpha-glucosidase inhibitory molecular targets by phytochemicals" , Pakistan Journal of Pharmaceutical Sciences ,Volume 32 ,Issue 2 ,Page 871 , 2019

Muhammad Danish,Muhammad A. Raza,Uzma Anwar,U. Rashid,Zaheer Ahmed "Differential Functional Theory and Molecular Docking Studies of Newly Synthesized Carbamates" , Journal of the Chinese Chemical Society ,Page 1-8 , 2019

Niaz Muhammad,Abdul Wadood,Muhammad Rashid Khan,Shaukat Shujah,Wajid Rehman,Sadaf Noor Elahi,Saqib Ali,Naseer Ali,U. Rashid "Theoretical and experimental in vitro antifungal and antitumor activities of organotin(IV) derivatives of 3-(4-nitrophenyl)-2-methylacrylic acid." , Pharmaceutical Chemistry Journal , 2019

Saba Tahir,T. Mahmood,Faiqa Dastgir,Ihsan ul-Haq,Amir Waseem,U. Rashid "Design, Synthesis and Anti-bacterial Studies of Piperazine Derivatives against Drug Resistant Bacteria." , European Journal of Medicinal Chemistry ,Volume 166 ,Page 224-231 , 2019

Ashfaq Ahmad,Farhat Ullah,Abdul Sadiq,Muhammad Ayaz,Haroon Rahim,U. Rashid,Sajjad Ahmad,Muhammad Saeed Jan,Riaz Ullah,Abdelaaty A Shahat,Hafiz Majid Mahmood "Pharmacological evaluation of aldehydic-pyrrolidinedione against HCT-116, MDA-MB231, NIH/3T3, MCF-7 cancer cell lines, antioxidant and enzyme inhibition studies" , Drug Design, Development and Therapy ,Volume 13 ,Page 4185-4104 , 2019

Muhammad Nadeem ,Muhammad Waseem Mumtaz,Muhammad Danish ,U. Rashid,Hamid Mukhtar,Farooq Anwar,Syed Ali Raza "UHPLC-QTOF-MS/MS based proiling of bioactives, antioxidant and anti-diabetic potential of leaf extracts and an insight into molecular docking." , Journal of Food Measurement and Characterization ,Volume 13 ,Issue 4 ,Page 3206–3220 , 2019

Muhammad Saeed Jan,Muhammad SHAHID,Sajjad Ahmad,Fida Hussain,Ashfaq Ahmad,Fawad Mahmood,U. Rashid,Farhat Ullah,Muhammad Ayaz,Abdul Sadiq "Synthesis of Pyrrolidine-2,5-dione Based Anti-inflammatory Drug: In Vitro COX-2, 5-LOX Inhibition and In Vivo Anti-inflammatory Studies" , Latin American Journal of Pharmacy ,Volume 38 ,Issue 11 ,Page 2287-94 , 2019

Gulraiz Ahmad,Nasir Rasool,Komal Rizwan,Imran Imran,Ameer Zahoor,Muhammad Zubair,Abdul Sadiq,U. Rashid "Synthesis, in-vitro cholinesterase inhibition, in-vivo anticonvulsant activity and in-silico exploration of N-(4-methylpyridin-2-yl)thiophene-2- carboxamide analogs" , Bioorganic Chemistry ,Volume 92 ,Page 103216 , 2019

Conference

Aaima Iftikhar,Royame Ali Butt,N. Riaz,M. S. Khan,M.Bilal,Q.Mahmood,U. Rashid "Efficiency of Modified Titania: Visible Light Assisted Photocatalytic Degradation of Textile Dyes: Effect of Dopants and Dopant Concentration" , International Conference on Environmental Toxicology and Health (ESCON) 25-27 February, 2019 , 2019

Abdul Sadiq,U. Rashid "The synthesis of pharmacologically active molecules through bifunctional organocatalists" , 3rd International Conference on recent innivations in Pharmaceutical sciences , 2019

Naveen Kausar,T. Mahmood,U. Rashid "Bioisosteric approach in designing new monastrol derivatives: An investigation on their ADMET prediction using in silico derived parameters" , 1st International Conference on “Drug Discovery against Cancer and other Diseases (DDCD)” , 2019

U. Rashid "Challenges and expectations in academia and industry collaboration" , 1st National Symposium on General Chemistry: A Platform from Academia to Industry , 2019

U. Rashid "Rational Drug Design: Introduction, Methods and Practical Application" , 2nd National workshop in Bioinformatics in GC University Lahore , 2019

Aaima Iftikhar,H.Zaffar,Momina Qaiser,Q.Mahmood,U. Rashid,R. Sarwar "Metal Doped TiO2 Nanomaterials for water disinfection. Environmental Pollution: Water Pollution and Treatment (a-EP-WPT-32). " , Presented in 8th International Conference on “Environmentally Sustainable Development” (ES-Dev 2019) 21-23 August 2019. p.112. ISBN: 978-969-487-023-6 , 2019

2018

Journal

Muafia Jabeen,Sajjad Ahmad,Khadija Shahid, Abdul Sadiq,U. Rashid "Ursolic Acid Hydrazide Based Organometallic Complexes: Synthesis, Characterization, Antibacterial, Antioxidant and Docking Studies" , Frontiers in Chemistry ,Volume 6 ,Page 1-18 , 2018

Atta Ullah,Fatima Iftikhar,Muhammad Arfan,Syeda Tayyaba Batool Kazmi,Muhammad Naveed Anjum,Ihsan-ul Haq,Muhammad Ayaz,Sadia Farooq,U. Rashid "Amino Acid Conjugated Antimicrobial Drugs: Synthesis, Lipophilicity- Activity Relationship, Antibacterial and Urease Inhibition Activity" , European Journal of Medicinal Chemistry ,Volume 145 ,Page 140-153 , 2018

Fawad Mahmood,Muhammad Saeed Jan,Sajjad Ahmad,U. Rashid,Muhammad Ayaz,Farhat Ullah,Fida Hussain,Ashfaq Ahmad,Arif-ullah Khan,Muhammad Aasim,Abdul Sadiq "Ethyl 3-oxo-2-(2,5-dioxopyrrolidin-3-yl)butanoate derivatives: Anthelmintic and cytotoxic potentials, antimicrobial and docking studies" , Frontiers in Chemistry ,Volume 5 ,Page 119 , 2018

Muhammad Naeem Ahmed,Khawaja Ansar Yasin,Sadiq-ur-Rehman, Rashid Mehmood,U. Rashid,T. Mahmood,Khurshid Ayub,Muhammad Nawaz Tahir ,Abdul Majeed Khan "Synthesis, Characterization, Anti-leishmanial Activity and in silico Studies of 5-(4-methoxyphenyl)-2-(undecylthio)-1,3,4-oxadiazole" , Journal of the Chemical Society of Pakistan ,Volume 40 ,Page 4 , 2018

Murtazaq Madni,Muhamad Naeem Ahmed,Shahid Hameed,Syed Wadood Ali Shah,U. Rashid,Khurshid Ayub,Muhammad Nawaz Tahir ,T. Mahmood "Synthesis, quantum chemical, in vitro acetyl cholinesterase inhibition and molecular docking studies of four new coumarin based pyrazolylthiazole nuclei" , Journal of Molecular Structure ,Volume 1168 ,Page 175-186 , 2018

Mumtaz Ali,Sardar Ali,Momin Khan,U. Rashid,Manzoor Ahmad,Ajmal Khan,Ahmed Al-Harrasi,Farhat Ullah,Abdul Latif "Synthesis, biological activities, and molecular docking studies of 2-mercaptobenzimidazole based derivatives" , Bioorganic Chemistry ,Volume 80 ,Page 472-479 , 2018

Yousaf Ali,Shafida Abd Hamid,U. Rashid "Biomedical Applications of Aromatic Azo Compounds: From chromophore to Pharmacophore" , Mini Reviews in Med. Chem , 2018

Muhammad Taha,U. Rashid,Syahrul Imran,Muhammad Ali "Rational design of bis-indolylmethane-oxadiazole hybrids as inhibitors of thymidine phosphorylase" , Bioorganic & Medicinal Chemistry ,Volume 26 ,Issue 12 ,Page 3654-3663 , 2018

Fatima Iftikhar,Farhana Yaqoob,Nida Tabassum,Muhammad Saeed Jan,Abdul Sadiq,Saba Tahir,Tahira Batool,Basit Niaz,Farzana Latif Ansari,Muhammad Iqbal Chaudhary,U. Rashid "Design, synthesis, in-vitro thymidine phosphorylase inhibition, in-vivo antiangiogenic and in-silico studies of C-6 substituted dihydropyrimidines" , Bioorganic Chemistry ,Volume 80 ,Page 99-111 , 2018

Abdul Sadiq,Anwar Zeb,Farhat Ullah,Sajjad Ahmad, Muhammad Ayaz,U. Rashid,Noor Muhammad "Chemical Characterization, Analgesic, Antioxidant, and Anticholinesterase Potentials of Essential Oils From Isodon rugosus Wall. ex. Benth" , Front. Pharmacol. – Ethnopharmacology ,Volume 9 ,Page 623 , 2018

Muafia Jabeen,Muhammad Iqbal Choudhry,Ghulam Abbas Miana,Khondaker Miraz Rahman,U. Rashid,Hidayat-ullah Khan,Arshia,Abdul Sadiq "Synthesis, pharmacological evaluation and docking studies of progesterone and testosterone derivatives as anticancer agents" , Steroids ,Volume 136 ,Page 22-31 , 2018

Naeem Akhtar Virk,Aziz-ur-Rehman,Muhammad Athar Abbasi,Sabahat Zahra Siddiqui,U. Rashid,Javed Iqbal,Muhammad Saleem,Muhammad Ashraf,Wardah Shahid,Syed Adnan Ali Shah "Conventional versus microwave assisted synthesis, molecular docking and enzyme inhibitory activities of new 3, 4, 5-trisubstituted-1, 2, 4-triazole analogues." , Pakistan Journal of Pharmaceutical Sciences ,Volume 31 ,Issue 4 ,Page 1501-1510 , 2018

Conference

Abdul Sadiq,U. Rashid "DISCOVERY OF PHARMACOLOGICALLY ACTIVE MOLECULES: A COMBINED RESEARCH FROM NATURAL AND SYNTHETIC ORIGIN" , 5th International Conference on Drug Development – Natural & Synthetic , 2018

U. Rashid "Molecular Modelling and its applications" , Workshop at Department of Chemistry The Government Sadiq College Women University , 2018

Saba Tahir,Sadaf Qureshi,U. Rashid,Ahsan Ul Haq,T. Mahmood " Mono- and Di-substituted Piperazine Derivatives: Design, Synthesis and Antibacterial Study Against Drug Resistant Bacteria" , International Conference on Modern Trends in Chemistry & Energy Technologies COMSATS University Islamabad, Lahore Campus (22nd-23 rd October) , 2018

Maria Bibi,Sana Malik,T. Mahmood,U. Rashid "Design, Synthesis, Docking Studies and In Vitro Evaluation of Pyrimidine Derivatives as Potent Antileishmanial Drugs" , International Conference on Modern Trends in Chemistry & Energy Technologies COMSATS University Islamabad, Lahore Campus (22nd-23 rd October) , 2018

2017

Journal

Abdul Wadood,Mehreen Ghufran,Syed Fahad Hassan,Huma Khan,Syed Sikandar Azam,U. Rashid "In silico identification of promiscuous scaffolds as potential inhibitors of 1-deoxy-d-xylulose 5- phosphate reductoisomerase for treatment of Falciparum malaria" , Pharmaceutical Biology ,Volume 55 ,Issue 1 ,Page 19-32 , 2017

Muhammad Sarfraz, Nargis Sultana,U. Rashid,Muhammad Safwan Akram,Abdul Sadiq,Muhammad Ilyas Tariq "Synthesis, biological evaluation and docking studies of 2,3-dihydroquinazolin-4(1H)-one derivatives as inhibitors of cholinesterases" , Bioorganic Chemistry ,Volume 70 ,Page 237-244 , 2017

Hamid Nawaz, Amir Waseem,Zia-ur-Rehman,Muhammad Nafees,Muhammad Nadeem Arshad,U. Rashid "Synthesis, characterization, cytotoxicity and computational studies of new phosphine and carbodithioate based palladium(II) complexes." , Applied Organometallic Chemistry ,Volume 31 ,Issue 11 ,Page 3771 , 2017

Mumtaz Ali,Sultan Muhammad,Muhammad R. Shah,Ajmal Khan,U. Rashid,U.Farooq,Farhat Ullah,Abdul Sadiq,Muhammad Ayaz,Majid Ali,Manzoor Ahmad,Abdul Latif "Neurologically Potent Molecules from Crataegus oxyacantha; Isolation, Anticholinesterase Inhibition, and Molecular Docking" , Frontiers in Pharmacology ,Volume 8 ,Page 327 , 2017

Muhammad Taha ,Nor Hadiani Ismail,Muhammad Ali,U. Rashid,Syahrul Imran,Nizam Uddin,Khalid Mohammed Khan "Molecular hybridization conceded exceptionally potent quinolinyl-oxadiazole hybrids through phenyl linked thiosemicarbazid" , Bioorganic chemistry ,Volume 71 ,Page 192 , 2017

Muhammad Taha,Nor Hadiani Ismail,Muhammad Ali,U. Rashid,Syarul Imran,Nizam Uddin,Khalid Mohammed Khan "Molecular hybridization conceded exceptionally potent quinolinyl-oxadiazole hybrids through phenyl linked thiosemicarbazide antileishmanial scaffolds: In silico validation and SAR studies" , Bioorganic Chemistry ,Volume 71 ,Page 192-200 , 2017

U. Rashid,Huzaifa Hanif,Samina Nazir,Kehkashan Mazhar, Muhammad Waseem,Shazia Bano "Targeted delivery of mesoporous silica nanoparticles loaded monastrol into cancer cells: an in vitro study" , Applied Nanoscience ,Volume 7 ,Page 549–555 , 2017

Huma Fatima,Naveeda Akhter Qureshi,U. Rashid,Nargis Shaheen,Muhammad Fiaz Qamar "In vivo antiplasmodial potential of aqueous extracts of trachyspermum ammi and punica granatum seeds in male balb/c mice" , Acta Poloniae Pharmaceutica- Drug Research ,Volume 74 ,Issue 6 ,Page 1781-1795 , 2017

Conference

S. M. Bukhari,Anee Taj,A. Zaidi,U. Rashid,Farhan Khan "Biological Evaluation of Some New Derivatives of 4-aminoantipyrine" , 9th Chemistry Conference 2017 on Chemistry in Engineering and Life Sciences at Chemistry Division, PINSTECH, Islamabad , 2017

2016

Journal

U. Rashid,Riffat Sultana,Nargis Shaheen,Syed Fahad Hassan,Farhana Yaqoob,Muhammad Jawad Ahmad,Fatima Iftikhar,Nighat Sultana,Saba Asghar,Masoom Yasinzai,Farzana Latif Ansari,Naveeda Akhter Qureshi "Structure based medicinal chemistry-driven strategy to design substituted dihydropyrimidines as potential antileishmanial agents." , European journal of medicinal chemistry ,Volume 115 ,Page 230-244 , 2016

U. Rashid,Fazal Rahim,Muhammad Taha,Muhammad Arshad,Hayat Ullah,T. Mahmood,Muhammad Ali "Synthesis of 2-acylated and sulfonated 4-hydroxycoumarins: In vitro urease inhibition and molecular docking studies" , Bioorganic Chemistry ,Volume 66 ,Page 111-116 , 2016

Muhammad Jawad Ahmad,Syed Fahad Hassan,Khurshid Ayub,Riffat Un Nisa,Muhammad Shahid Nadeem,Samina Nazir,Farzana Latif Ansari,Naveeda Akhtar Qureshi,U. Rashid "Synthesis, in vitro potential and computational studies on 2-amino-1,4-dihydropyrimidines as multitarget antibacterial ligands." , Med Chem Res ,Volume 25 ,Page 1877-1894 , 2016

Wajid Rehman,Rehana Yasmeen,Fazal Rahim,Muhammad Waseem,Cun-Yue Guo,Zonera Hassan,U. Rashid,Khurshid Ayub "Synthesis biological screening and molecular docking studies of some tin (IV) Schiff base adducts" , Journal of Photochemistry & Photobiology, B: Biology ,Volume 164 ,Page 65-72 , 2016

Naveeda Akhtar Qureshi,Abid Ali,U. Rashid,Tayyab-ur-Rehman,Naeem Ali "Prevalence of Leishmania tropica in school boys of khyber agency,FATA near Pak-Afghan border" , Acta Tropica ,Volume 164 ,Page 90-94 , 2016

U. Rashid,Waqas Ahmad, Syed Fahad Hassan,Naveeda Akhtar Qureshi,Basit Niaz,Bakhtiar Muhammad, Sameera Imdad,Muhammad Sajid "Design, synthesis, antibacterial activity and docking study of some new trimethoprim derivatives" , Bioorganic & Medicinal Chemistry Letters ,Volume 26 ,Page 5749–5753 , 2016

Huma Fatima, Naveeda Akhter Qureshi,Nargis Shaheen,U. Rashid,Muhammad Fiaz Qamar "In vivo antiplasmodial potential of aqueous extracts of trachyspermum ammi and punica granatum seeds in male balb/c mice." , Acta Poloniae Pharmaceutica- Drug Research , 2016

Fazal Rahim,Muhammad Ali, Shifa Ullah,U. Rashid,Hayat Ullah, Muhammad Taha, Muhammad Tariq Javed, Wajid Rehman,Aftab Ahmad Khan, Obaid Ur Rahman Abid,M.Bilal "Development of bis-thiobarbiturates as successful urease inhibitors and their molecular modeling studies" , Chinese Chemical Letters ,Volume 27 ,Issue 5 ,Page 693–697 , 2016

Conference

Yousaf Ali,Shafida Abd Hamid ,U. Rashid "In silico binding orientation of a selected azo calix(4)ene against human topoisomerase IIA enzyme as a prospective inhibitor" , International Conference on Education, Mathematics ans Science 2016 (ICEMS2016) Venue Universiti Pendidikan Sultan Idris (UPSI), Perak, Malaysia , 2016

Shafida Abd Hamid,Yousaf Ali,U. Rashid "In silico binding orientation of a selected azo calix[4]arene against human topoisomerase IIA enzyme as prospective Inhinitor" , ICEMS, Malaysia , 2016

2015

Journal

S. M. Bukhari,Ifthikhar Ali,A. Zaidi,Naseem Iqbal,Tayyaba Noor,Rashid Mehmood,Muhammad Salman Chishti,Basit Niaz,U. Rashid,Muhammad Atif "Pharmacology and synthesis of daurichromenic acid as a potent anti -HIV Agent" , Acta Poloniae Pharmaceutica ñ Drug Research ,Volume 72 ,Issue 6 ,Page 1059-1071 , 2015

2014

Journal

U. Rashid,Syed Fahad Hassan,Samina Nazir,Abdul Wadood,Muhammad Waseem,Farzana Latif Ansari "Dihydropyrimidine based ispinesib type KSP inhibitors: Synthesis, docking studies and in silico ADMET predictions" , Med. Chem. Res ,Volume 24 ,Page 304-315 , 2014

Samina Nazir,Tajammul Hussain,Attiya Ayub,U. Rashid,Alexander John MacRobert "Nanomaterials in combating cancer: Therapeutic applications and developments" , Nanomedicine: Nanotechnology, biology and medicine ,Volume 10 ,Issue 1 ,Page 19-34 , 2014

Wajid Rehman,Sirajul Haq,Bakhtiar Muhammad,Syed Fahad Hassan,Amin Badshah,Muhammad Waseem,Fazal Rahim,Obaid-ur-Rahman Abid,Farzana Latif Ansari,U. Rashid "Organotin (IV) based complexes as promiscuous antibacterials: Synthesis, in vitro, in silico pharmacokinetic and docking studies" , Journal of Organometallic Chemistry ,Volume 767 ,Page 91-100 , 2014

Saba Noor,Muhammad Waseem,U. Rashid,Muhammad Anis-ur-Rehman,Wajid Rehman,Khalid Mahmood "Fabrication of NiO coated SiO2 and SiO2 coated NiO for the removal of Pb2+ ions" , Chinese Chemical Letters ,Volume 25 ,Page 819-822 , 2014

Muhammad Irshad,Syed Mustafa,Muhammad Waseem,Khizar Hussain Shah ,U. Rashid "Effect of Temperature and Electrolyte Concentration on the Surface Charge Properties of Fe(OH)(3)" , Journal- Chemical Society of Pakistan ,Volume 36 ,Issue 5 ,Page 783-787 , 2014

Book/Chapter

U. Rashid,Farzana Latif Ansari "Challenges in designing therapeutic agents for treating Alzheimer’s disease-From serendipity to rationality" , Drug Design and Discovery in Alzheimer’s Disease , 2014

2013

Journal

Muhammad Waseem,Sajida Munsif,U. Rashid,Imad-ud-Din "Physical properties of α-Fe2O3 nanoparticles fabricated by modified hydrolysis technique" , Applied Nanoscience ,Volume 4 ,Issue 5 ,Page 643-648 , 2013

Syed Fahad Hassan,U. Rashid,Farzana Latif Ansari,Zaheer -ul-Haq "Bioisosteric approach in designing new monastrol derivatives: an investigation on their ADMET prediction using in silico derived parameters." , J Mol Graph Model ,Volume 45 ,Page 202-10 , 2013

U. Rashid,Iram Batool,Abdul Wadood,Ajmal Khand,Zaheer ul-Haqd,Muhammad Iqbal Chaudhary,Farzana Latif Ansari "Structure based virtual screening-driven identification of monastrol as a potent urease inhibitor." , J Mol Graph Model ,Volume 43 ,Page 47-57 , 2013

Saima Kalsoom,U. Rashid,Awais Shaukat,Omer Mohamed Abdalla,Khalida Hussain,Waqasuddin Khan,Samina Nazir,Mohammad Ahmad Mesaik,Zaheer-ul-Haq,Farzana Latif Ansari "In vitro and in silico exploration of IL-2 inhibition" , Med Chem Res ,Volume 22 ,Page 5739-5751 , 2013

U. Rashid, Ahsan Ullah, Muhammad Waseem,Farzana Latif Ansari "Microwave Assisted Partial Synthesis of Enantiomerically Pure S-ispinesib-A case study" , Journal- Chemical Society of Pakistan ,Volume 35 ,Issue 3 ,Page 846-858 , 2013

Wajid Rehman,Zonera Hassan,Fazal Rahim,U. Rashid,Obaid-Ur-Rahman Abid,Muhammad Waseem "Synthesis, characterization antibacterial and antifungal activity of some transition metal complexes" , Med Chem Res ,Volume 23 ,Issue 5 ,Page 2207-2211 , 2013

Muhammad Waseem,S. Mustafa,A. Naeem,K.H. Shah,U. Rashid "Synthesis, physical characteristics, and Cd2+ sorption studies of amorphous Fe(OH)3" , Desalination and Water Treatment ,Volume 52 ,Page 4783–4791 , 2013

Syed Mustafa,Muhammad Irshad,Muhammad Waseem,Khizar Hussain Shah,U. Rashid,Wajid Rehman "Adsorption of heavy metal ions in ternary systems onto Fe(OH)3 " , Korean Journal of Chemical Engineering ,Volume 30 ,Issue 12 ,Page 2235-2240 , 2013

2008

Journal

Farzana Latif Ansari,Fatima Iftikhar, Ihsan-ul-Haq,Bushra Mirza,Mohammad Baseer,U. Rashid "Solid-phase synthesis and biological evaluation of a parallel library of 2,3-dihydro-1,5-benzothiazepines" , Bioorganic & Medicinal Chemistry ,Volume 16 ,Page 7691–7697 , 2008

Awards/ Appreciations

HEC scholarship under International Research Support Initiative Program (IRSIP) for doing a part of Ph.D. research at Christian Doppler Laboratory for Microwave Chemistry (CDLMC), Karl-Franzens-University, Austria.
Merit Scholarship, Quaid-i-Azam University, Islamabad.
Life Member, Chemical Society of Pakistan.
Member American Chemical Society (ACS)
Member COMP-An ACS division of Computers in Chemistry

Computational Chemistry

Dr. Umer Rashid

Academics/ Degrees

Profile/Bio

Projects

Publications/Papers

2024

2023

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2020

2019

2018

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2016

2015

2014

2013

2008

Awards/ Appreciations

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