In silico Modeling Studies of 5-HT2B Antagonistic Activity of 2-(2- phenylethyl)chromone Derivatives from Cucumis melo Seeds

Publisher： Bentham Science Publishers

E-ISSN： 1875-628x|13|8|840-844

ISSN： 1570-1808

Source： Letters in Drug Design & Discovery, Vol.13, Iss.8, 2016-08, pp. : 840-844

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Abstract

Chromone derivatives, which have activities on the central nervous system (CNS) may be of great importancefor finding out drugs for treatment of CNS disorders. Discovery of natural products with affinity for serotonin or 5-hydroxytryptamine (5-HT) receptors is the limelight of current research. Hence, the current objective of the present workis to study the 5-HT2B antagonist activity of 2-(2-phenylethyl)chromone (PECs) derivatives (3-6), which were previouslyreported from Cucumis melo L. using in silico studies. RS-127445 (2-amino-4-(4-fluoronaphth-1-yl)-6-isopropylpyrimidine) was used as a standard. Docking studies identified specific amino acid residues through which thetested PECs derivatives bound with 5-HT2B receptor. Where, 3 showed highest binding affinity among tested compounds.Flexible alignment showed that all PECs derivatives aligned fairly well compared with reference compound except for 6.The results were quite encouraging for all PECs derivatives.