Title

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

Authors

S. Karthik Nagarajan^1,*, Siva Annamalai², C.B.S Bharath Christian¹, K. Rajamaheswari¹,
A. Lavanya¹ & K. Arunachalam³

Affiliation

¹Department of Clinical, National Institute of Siddha, Chennai, India; ²Department of Clinical, Siddha Regional Research Institute, Puducherry, India; ³Department of Clinical, Siddha Clinical Research Unit, Tirupati, India; *Corresponding author

Email

S. Karthik Nagarajan - E - mail: drkarthiksiddha2016@gmail.com

Siva Annamalai - E - mail: raimrtcsrri@gmail.com
Bharath Christian C.B.S - E - mail: cbssiddha@gmail.com
K. Rajamaheswari - E - mail: rajamaheswari.maheswari3@gmail.com
A. Lavanya - E - mail: lavanyasiddha@gmail.com
K. Arunachalam - E - mail: drarunachalam91@gmail.com

Article Type

Research Article

Date

Received March 1, 2025; Revised March 31, 2025; Accepted March 31, 2025, Published March 31, 2025

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.

Keywords

Molecular docking, network pharmacology, phospholipase A2

Citation

Nagarajan et al. Bioinformation 21(3): 290-296 (2025)

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.