Computational Chemistry

Project Description

Alzheimer’s Disease (AD) is a multifactorial and its symptomatic treatment mainly based on acetylcholinesterase (AChE) inhibitors that do not stop its progression. Unfortunately, despite significant research on neurodegeneration and molecular mechanism, no efficient and safer treatment is available for Alzheimer’s Disease. The multifaceted AD offers a rationale for development of a multitarget directed ligands (MTDLs) centered novel drug design strategy. Based on the “one for all” concept, current research will focus to pursue a strategy to synthesize novel scaffolds by using 3D crystal structures of multiple targets responsible for the AD pathology. For the framework design, Indanone and thiazolidine cores will be used and structural modification will be carried out by linking these scaffolds with different tethers and cyclic systems to bring diversity. Finally, in-vitro bioassays will be performed to rationalize the deigned drugs. The computational studies and by using online tools, in-silico pharmacokinetic properties will be predicted.

Project Funding

Sr. No.Funding BodyFunds
1 Higher Education Commision 8688250 Rs

Members

  • Dr. Umer Rashid