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Molecular Docking Studies and Anti-enzymatic Activities of Thai Mango Seed Kernel Extract Against Snake Venoms
Department of Pharmacy, Faculty of Pharmacy, Mahidol University, Bangkok 10400, Thailand
Department of Pharmaceutical Botany, Faculty of Pharmaceutical Sciences, Chulalongkorn University, Bangkok 10330, Thailand
Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand
* Author to whom correspondence should be addressed.
Received: 16 January 2009; in revised form: 26 March 2009 / Accepted: 30 March 2009 / Published: 31 March 2009
Abstract: The ethanolic extract from seed kernels of Thai mango (MSKE) (Mangifera indica L. cv. ‘Fahlun’) (Anacardiaceae) and its major phenolic principle (pentagalloyl glucopyranose) exhibited dose-dependent inhibitory effects on enzymatic activities of phospholipase A2 (PLA2), hyaluronidase and L-amino acid oxidase (LAAO) of Calloselasma rhodostoma (CR) and Naja naja kaouthia (NK)venoms by in vitro tests. The anti-hemorrhagic and anti-dermonecrotic activities of MSKE against both venoms were clearly supported by in vivo tests. Molecular docking studies indicated that the phenolic molecules of the MSKE could selectively bind to the active sites or their proximity, or modify conserved residues that are critical for the catalysis of PLA2, and selectively bind to the LAAO binding pocket of both CR and NK venoms and thereby inhibit their enzymatic activities. The results imply a potential use of MSKE against snake venoms.
Keywords: Calloselasma rhodostoma; Mangifera indica L.; Molecular docking study; Naja naja kaouthia; Pentagalloylglucopyranose; Polyphenols
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Leanpolchareanchai, J.; Pithayanukul, P.; Bavovada, R.; Saparpakorn, P. Molecular Docking Studies and Anti-enzymatic Activities of Thai Mango Seed Kernel Extract Against Snake Venoms. Molecules 2009, 14, 1404-1422.
Leanpolchareanchai J, Pithayanukul P, Bavovada R, Saparpakorn P. Molecular Docking Studies and Anti-enzymatic Activities of Thai Mango Seed Kernel Extract Against Snake Venoms. Molecules. 2009; 14(4):1404-1422.
Leanpolchareanchai, Jiraporn; Pithayanukul, Pimolpan; Bavovada, Rapepol; Saparpakorn, Patchreenart. 2009. "Molecular Docking Studies and Anti-enzymatic Activities of Thai Mango Seed Kernel Extract Against Snake Venoms." Molecules 14, no. 4: 1404-1422.