Study of Radical Scavenging Activities of a Series of Flavonoids through 3D-QSAR Analysis

Ananda Sarkar1, Atish Dipankar Jana2,* and Nabanita Giri3

1Department of Physics, Acharya Prafulla Chandra College, Kolkata-700 131, India

2Department of Physics, Behala College, Parnasree, Kolkata-700 060, India

3Department of Microbiology, Acharya Prafulla Chandra College, Kolkata-700 131, India

*Corresponding author: E-mail: atish@behalacollege.in; atishdipankarjana@yahoo.in

Abstract

Flavonoids are efficient antioxidants having free radical scavenging property. A set of 29 flavonoids whose radical scavenging activities are known, have been chosen to understand the origin of their radical scavenging activities. 3D-QSAR models have been established through comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) procedure which reveal that the electron withdrawing groups from pyrone ring is likely to increase the radical scavenging activities. Also hydrogen bond donor groups on pyrone moiety and its adjacent ring are preferred for better radical scavenging activitiies.

Keywords

Flavonoids, Radical scavenging activity, CoMFA, CoMSIA, Pyrone ring.

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