Mechanistic QSAR analysis to predict the binding affinity of diverse heterocycles as selective cannabinoid 2 receptor inhibitor

Mechanistic QSAR analysis to predict the binding affinity of diverse heterocycles as selective cannabinoid 2 receptor inhibitor

CB2R are fascinating targets for neuropathic pain and mood disorders because of their improved biological characteristics. Experimental data on 1296 cannabinoid-2 receptor inhibitors with different structural properties were used to develop a QSAR model following OECD guidelines. This study selected...

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Bibliographic Details
Main Authors: Rahul D. Jawarkar, Magdi E. A. Zaki, Sami A. Al-Hussain, Abdullah Yahya Abdullah Alzahrani, Long Chiau Ming, Abdul Samad, Summya Rashid, Suraj Mali, Gehan M. Elossaily
Format: Article
Language:English
Published: Taylor & Francis Group 2023-12-01
Series:Journal of Taibah University for Science
Subjects:
Cannabinoid 2 receptor
QSAR
GA-MLR
pharmacophore modeling
Molecular dynamic simulation
MMGBSA
Online Access:https://www.tandfonline.com/doi/10.1080/16583655.2023.2265104

Internet

https://www.tandfonline.com/doi/10.1080/16583655.2023.2265104

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