Molecular Docking Studies and Anti−Snake Venom Metalloproteinase Activity of Thai Mango Seed Kernel Extract

Molecules

Pimolpan Pithayanukul¹  Jiraporn Leanpolchareanchai¹ 

[1] ¹Department of Pharmacy, Faculty of Pharmacy, Mahidol University, Bangkok 10400, Thailand ²Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand

关键词: anti−snake venom metalloproteinase activity;    Calloselasma rhodostoma;    Mangifera indica L.;    molecular docking study;    Naja naja kaouthia;    pentagalloylglucopyranose;   

DOI  :  10.3390/molecules14093198

来源: mdpi

【 摘 要 】

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.

【 授权许可】

CC BY   
This is an open access article distributed under the Creative Commons Attribution License (CC BY) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.