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

摘要

Chromone derivatives, which have activities on the central nervous system (CNS) may be of great importance for 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 work is to study the 5-HT2B antagonist activity of 2-(2-phenylethyl) chromone (PECs) derivatives (3-6), which were previously reported 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 the tested 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.