Molecular characterization, biological activity, and in silico study of 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6-methoxy-4H-chromen-4-one as a novel selective COX-2 inhibitor

Rullah, Kamal and Mohd Aluwi, Mohd Fadhlizil Fasihi and M.Yamin, Bohari and Baharuddin, Mohd Syukri and Ismail, Nor Hadiani and YudaTeruna, Hilwan and Abbas Bukhari, Syed Nasir and Jantan, Ibrahim and Jalil, Juriyati and Husain, Khairana and Lam, Kok Wai (2015) Molecular characterization, biological activity, and in silico study of 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6-methoxy-4H-chromen-4-one as a novel selective COX-2 inhibitor. Journal of Molecular Structure, 1081. pp. 51-61. ISSN 0022-2860

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Abstract

The present study aimed to characterize and investigate 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6-methoxy-4H-chromen-4-one (22) as a novel selective COX-2 inhibitor. The data collected from the single X-ray crystallographic analysis and in silico study provide important insights on the molecular conformation and the binding interactions that are responsible for the COX-2 selectivity.

Item Type:	Article (Journal)
Additional Information:	9020/73535
Uncontrolled Keywords:	ChromoneSingle-crystal XRDProstaglandin E2COX-2 inhibitorDocking simulation
Subjects:	R Medicine > RS Pharmacy and materia medica > RS403 Materia Medica-Pharmaceutical Chemistry
Kulliyyahs/Centres/Divisions/Institutes (Can select more than one option. Press CONTROL button):	Kulliyyah of Pharmacy
Depositing User:	Dr Kamal Rullah
Date Deposited:	07 Aug 2019 11:18
Last Modified:	07 Aug 2019 11:18
URI:	http://irep.iium.edu.my/id/eprint/73535

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