# Molecular docking analysis of bioactive molecules from herbs with snake venom phospholipase A2

**Authors:** Karthik Nagarajan S., Siva Annamalai, Bharath Christian C.B.S, Rajamaheswari K., Lavanya A., Arunachalam K.

PMC · DOI: 10.6026/973206300210290 · 2025-03-31

## TL;DR

This paper identifies plant-derived compounds that strongly inhibit snake venom phospholipase A2, suggesting potential herbal treatments.

## Contribution

The study evaluates and identifies novel bioactive phytoconstituents as potent inhibitors of snake venom PLA2.

## Key findings

- Gymnemic acid, Aristolochic acid, Lupeol, and Tocopherol show strong inhibitory potential against PLA2.
- These compounds exhibit strong binding and molecular interactions with snake venom phospholipase A2.

## Abstract

Snake venom, particularly phospholipase A2 (PLA2), exerts profound pathological effects, necessitating the development of potent
therapeutic interventions. Therefore, it is of interest to the inhibitory potential of bioactive phytoconstituents from select medicinal
herbs with PLA2. Analysis showed that Gymnemic acid, Aristolochic acid, Lupeol and Tocopherol are the best PLA2 inhibitors with strong
binding and molecular interactions for further consideration.

## Linked entities

- **Proteins:** PLA2G1B (phospholipase A2 group IB)
- **Chemicals:** Aristolochic acid (PubChem CID 2236), Lupeol (PubChem CID 259846), Tocopherol (PubChem CID 14986)

## Full-text entities

- **Genes:** PLA2G1B (phospholipase A2 group IB) [NCBI Gene 5319] {aka PLA2, PLA2A, PPLA2}
- **Chemicals:** Lupeol (MESH:C010480), phytoconstituents (-), Aristolochic acid (MESH:C000228), Tocopherol (MESH:D024505), Gymnemic acid (MESH:C007898)

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Source: https://tomesphere.com/paper/PMC12208267