QSAR and docking based lead optimization of nitrogen heterocycles for enhanced prostaglandin EP2 receptor agonistic potency

QSAR and docking based lead optimization of nitrogen heterocycles for enhanced prostaglandin EP2 receptor agonistic potency

In the existing effort, a dataset of 309 experimentally screened molecules for in vitro (Ki) agonist potential for Prostaglandin E2 (PGE2) receptor 2 subtype (EP2), which is a metabolite of arachidonic acid that binds with and regulates cellular responses to PGE2, was investigated in the QSAR (Quant...

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Bibliographic Details
Main Authors: Rahul D Jawarkar, Magdi E.A. Zaki, Sami A. Al-Hussain, Abdul Samad, Long Chiau Ming, Summya Rashid, Gehan M. Elossaily, Susmita Yadav, Suraj Mali
Format: Article
Language:English
Published: Elsevier 2024-06-01
Series:Chemical Physics Impact
Subjects:
Prostaglandin EP2 Receptor
QSAR
Pharmacophoric features
Crystal structures
Lead compounds
Online Access:http://www.sciencedirect.com/science/article/pii/S2667022424000288

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http://www.sciencedirect.com/science/article/pii/S2667022424000288

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