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Molecular Docking Studies and Anti−Snake Venom Metalloproteinase Activity of Thai Mango Seed Kernel Extract
Department of Pharmacy, Faculty of Pharmacy, Mahidol University, Bangkok 10400, Thailand
Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand
* Author to whom correspondence should be addressed.
Received: 10 August 2009; in revised form: 21 August 2009 / Accepted: 25 August 2009 / Published: 27 August 2009
Abstract: Snakebite envenomations cause severe local tissue necrosis and the venom metalloproteinases are thought to be the key toxins involved. In this study, the ethanolic extract from seed kernels of Thai mango (Mangifera indica L. cv. ‘Fahlun’) (Anacardiaceae) and its major phenolic principle (pentagalloylglucopyranose) exhibited potent and dose−dependent inhibitory effects on the caseinolytic and fibrinogenolytic activities of Malayan pit viper and Thai cobra venoms in in vitro tests. molecular docking studies revealed that the binding orientations of the phenolic principles were in the binding pockets of snake venom metalloproteinases (SVMPs). The phenolic principles could form hydrogen bonds with the three histidine residues in the conserved zinc−binding motif and could chelate the Zn2+ atom of the SVMPs, which could potentially result in inhibition of the venom enzymatic activities and thereby inhibit tissue necrosis.
Keywords: anti−snake venom metalloproteinase activity; Calloselasma rhodostoma; Mangifera indica L.; molecular docking study; Naja naja kaouthia; pentagalloylglucopyranose
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Pithayanukul, P.; Leanpolchareanchai, J.; Saparpakorn, P. Molecular Docking Studies and Anti−Snake Venom Metalloproteinase Activity of Thai Mango Seed Kernel Extract. Molecules 2009, 14, 3198-3213.
Pithayanukul P, Leanpolchareanchai J, Saparpakorn P. Molecular Docking Studies and Anti−Snake Venom Metalloproteinase Activity of Thai Mango Seed Kernel Extract. Molecules. 2009; 14(9):3198-3213.
Pithayanukul, Pimolpan; Leanpolchareanchai, Jiraporn; Saparpakorn, Patchreenart. 2009. "Molecular Docking Studies and Anti−Snake Venom Metalloproteinase Activity of Thai Mango Seed Kernel Extract." Molecules 14, no. 9: 3198-3213.