Validation of Russell’s Viper Venom Detoxification Activity of Azadirachta indica through In Silico Method
Journal Title: IOSR Journal of Pharmacy and Biological Sciences (IOSR-JPBS) - Year 2016, Vol 11, Issue 2
Abstract
Azadirachta indica A. Juss. (neem) is one of the Indian medicinal plants used as antidote to snake venom particularly against viper envenomation. In the present study 335 phytochemicals reported from Azadirachta indica were docked with Daboia russelii venom proteins, basic phospholipase A2 VRV-PL-VIIIa (PDB id 1OXL) and class II anticoagulant phospholipase A2 (PDB id 1VIP) using the tool AutoDock 4.2. To avoid error in lead identification, the top ranked hit molecules (∆Gbind<- 10 kcal/mol) were docked using different docking tools such as SwissDock, PatchDock, iGemDock and Hex. The results were analysed following Dempster Shafer Theory (DST) and also the docked structures were analysed in Ligplot+ . The compound 1-acetyl-7-tigloyl-nimbidinin and 1-senecioyl-3-acetyl vilasinin lactol were identified as the leads against phospholipase A2 VRV-PL-VIIIa and nimbocinolide, 1-cinnamoyl vilasinin lactone and tirucallol were identified as leads against class II anticoagulant phospholipase A2.
Authors and Affiliations
Deepa V. 1, S. Sreekumar, C. K. Biju3
Keywords
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- EP ID EP383574
- DOI 10.9790/3008-1102033546
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