Evaluation of the Efficacy of Herbal Antidotes of Viper Snakes through In-silico Docking Analysis of their Bioactive Components Targeting Phospholipase A2

Abstract

Introduction: Snake bite is common in Rural areas. Many toxic snakes produce neurotoxic, Myotoxic, and hemotoxic effects. Snake venom is rich in metalloproteinases and Phospholipases. PhospholipaseA2 accounts for most of the toxic effects of Viper snakes. Many herbal antidotes have been in practice in the Siddha system which lacks scientific evidence.
 Aim: This study aims to rule out the Binding pose and affinity of bioactive components derived from certain herbs with the target by forming hydrogen bonds so that the function of Phospholipases A2 with PDB – 2QOG would be hindered.
 Materials and Methods: From the listed plants 6 bioactive components were selected and In-Siico docking analysis was done with the target2QOG. Andrographolide (49 ASP, 52 TYR), Aristolochic acid(49 ASP, 52 TYR), Genistein(49 ASP, 52 TYR), and Nimbolide (49 ASP, 52 TYR) revealed a maximum of 2 interactions (50%) with the core active amino acid residues present on the target2QOG. Piperic acid (48 HIS) and Linoleic acid(48 HIS) reveal 1 interaction with the core active amino acid residues present on the target 2QOG.
 Conclusion: Based on the results it was concluded that the bio-active compounds Andrographolide, Aristolochic acid, and Genistein present in the herbal ingredients possess significant binding against the target enzyme phospholipases A2.