Molecular Docking Studies and Anti-enzymatic Activities of Thai Mango Seed Kernel Extract Against Snake Venoms

Molecules

Jiraporn Leanpolchareanchai¹  Pimolpan Pithayanukul¹  Rapepol Bavovada² 

[1] Department of Pharmacy, Faculty of Pharmacy, Mahidol University, Bangkok 10400, Thailand; E-mails:;Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand; E-mail:

关键词: Calloselasma rhodostoma;    Mangifera indica L.;    Molecular docking study;    Naja naja kaouthia;    Pentagalloylglucopyranose;    Polyphenols.;   

DOI  :  10.3390/molecules14041404

来源: mdpi

【 摘 要 】

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.

【 授权许可】

CC BY   
© 2009 by the authors; licensee MDPI, Basel, Switzerland.