Crystallography, Molecular Modeling, and COX-2 Inhibition Studies on Indolizine Derivatives

Crystallography, Molecular Modeling, and COX-2 Inhibition Studies on Indolizine Derivatives

The cyclooxygenase-2 (COX-2) enzyme is an important target for drug discovery and development of novel anti-inflammatory agents. Selective COX-2 inhibitors have the advantage of reduced side-effects, which result from COX-1 inhibition that is usually observed with nonselective COX inhibitors. In thi...

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Main Authors: Katharigatta N. Venugopala, Sandeep Chandrashekharappa, Christophe Tratrat, Pran Kishore Deb, Rahul D. Nagdeve, Susanta K. Nayak, Mohamed A. Morsy, Pobitra Borah, Fawzi M. Mahomoodally, Raghu Prasad Mailavaram, Mahesh Attimarad, Bandar E. Aldhubiab, Nagaraja Sreeharsha, Anroop B. Nair, Osama I. Alwassil, Michelyne Haroun, Viresh Mohanlall, Pottathil Shinu, Rashmi Venugopala, Mahmoud Kandeel, Belakatte P. Nandeshwarappa, Yasmine F. Ibrahim
Format: Article
Language:English
Published: MDPI AG 2021-06-01
Series:Molecules
Subjects:
indolizine derivatives
molecular modeling
COX-2 inhibition
crystal structure
Hirshfeld surface analysis
energy framework
Online Access:https://www.mdpi.com/1420-3049/26/12/3550

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https://www.mdpi.com/1420-3049/26/12/3550

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