Docking, QSAR and CoMFA Studies on Arecoline Analogues as Muscarinic Acetylcholine Receptor (mAChR) M1 Agonists

Balaji, S and Prasanna, D S and Rangappa, K S (2013) Docking, QSAR and CoMFA Studies on Arecoline Analogues as Muscarinic Acetylcholine Receptor (mAChR) M1 Agonists. Proceeding of Indian National Science Academy (1). pp. 41-50.

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Abstract

Muscarinic Acetylcholine Receptor (mAChR) is one of the important receptors in medicinal chemistry belonging to the family of G-protein-coupled receptor (GPCR). In the present study, 3D quantitative structure activity relationship (3D QSAR) studies involving comparative molecular field analysis (CoFMA) were performed on arecoline derivatives which were reported as inhibitors of M1 mAChR [1-4]. The CoMFA model provided the most significant correlation of steric and electrostatic fields with biological activities. The information rendered by 3D QSAR model affords valuable clues to optimize the lead and design new potential inhibitors for M1 mAChR.

Item Type: Article
Uncontrolled Keywords: Muscarinic; Alzheimer; CoMFA; Arecoline; Docking
Subjects: Engineering > MIT Manipal > Biotechnology
Depositing User: MIT Library
Date Deposited: 15 Sep 2014 07:40
Last Modified: 15 Sep 2014 07:40
URI: http://eprints.manipal.edu/id/eprint/140616

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