Healthmed Journal of Pharmaceutical Sciences

In silico structural determination and validation of Cyclin dependent kinase 5 activator 1, CDK5R1 by homology modeling as a target of anti-Alzheimer’s drug and design of potential lead compounds by de novo synthesis

Original Research

Author : Lutful Haque Saran, Tafsina Haque Aurin, Jarin Tasnim, Samia Akter,

Abstract

Cyclin dependent kinase 5 activator 1 (CDK5R1), commonly named P35 is an important cellular component which plays a role in the progression of Alzheimer’s disease (AD). P35 is the first component of the process of Tau hyper phosphorylation which produces Amyloid plaques and neurofibrillary tangles (NFT), the two main components responsible for Alzheimer’s disease. It is very much obvious to be hypothesized that blocking of Cdk-5R1 or P35 can be a suitable attempt to stop the progression of the process of Alzheimer’s disease. This study’s aim is to find some leads which can be a good candidate for anti-Alzheimer’s drug. This study is a computational approach based on structure-based drug design techniques to generate some potential lead compounds for targeting P35 protein as an effective treatment approach for AD. A lot of software and webservers are involved in this study protocol. The structure of CDK5R1 has been built from the amino acid sequences by homology modeling, pockets have been searched in the protein and based on pocket information lead molecules have been designed by de novo synthesis techniques. Finally, molecules have been screened based on some druggability assessment. Among the molecules 8 promising leads have been identified.

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