Thangavelu, AU (2024) Identi cation and in silico analysis of phytochemicals from Phyla nodi ora (l.): Potential bioactive compounds for targeted therapy. Identification and in silico analysis of phytochemicals from Phyla nodiflora (l.): Potential bioactive compounds for targeted therapy. pp. 1-11. ISSN 2693-5015

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Abstract

The increasing demand for safer, more sustainable alternatives to chemical-based medicines has
prompted signi cant interest in plant-derived bioactive compounds, which are known to possess a wide
range of therapeutic properties. Among these, Phyla nodi ora (L.), a medicinal plant used in traditional
medicine, has garnered attention due to its potential for treating various ailments. However, a
comprehensive understanding of the bioactive compounds in P. nodi ora and their mechanisms of
action is lacking. In this backdrop, the present study aims to explore the therapeutic potential of
phytochemicals derived from hexane and methanolic leaf extract of P. nodi ora. Through GC-MS
analysis, we identi ed 50 distinct chemicals, among these the predominant 10 bioactive compounds
were selected for further investigation based on their known pharmacological activities and subjected to
molecular docking against protein targets: Protein Tyrosine Phosphatase 1B, Androgen Receptor, Cyclin
A, and NKCC1. The results highlight n-Hexadecanoic acid, stigmasterol, and beta-sitosterol as potent
candidates for drug development with promising therapeutic potential for diabetes, alopecia, cancer, and
anti-diuresis. These ndings provide valuable insights into the medicinal value of P. nodi ora and open
avenues for further research, including in vitro and in vivo studies, to validate the e cacy of these
compounds. The results also underscore the importance of plant-based drug discovery efforts in
developing novel treatments for non-communicable diseases, thus contributing to the growing body of
research in ethnopharmacology and natural product chemistry

Item Type: Article
Uncontrolled Keywords: Phyla nodi ora , Phytochemicals, diabetes, dandruff, cancer, anti-diuresis, in silico docking, non-communicable disease
Divisions: PSG College of Arts and Science > Department of Biotechnology
Depositing User: Mr Team Mosys
Date Deposited: 26 Sep 2025 08:28
Last Modified: 26 Sep 2025 08:28
URI: https://ir.psgcas.ac.in/id/eprint/2440

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