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

• Main Authors: Jawarkar, Rahul D, Zaki, Magdi E A, Al-Hussain, Sami A, Samad, Abdul, Long, Chiau Ming *, Rashid, Summya, Elossaily, Gehan M., Yadav, Susmita, Mali, Suraj
• Format: Article
• Published: Elsevier
• Subjects: QP Physiology; RM Therapeutics. Pharmacology
• Online Access: http://eprints.sunway.edu.my/2599/; https://doi.org/10.1016/j.chphi.2024.100484

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...