A NOVEL EXTRACTION AND LC–MS/MS-QTOF BASED METABOLITE PROFILING COUPLED WITH ADMET AND PASS SERVER PREDICTION UNVEILS ANTI-HIV LEADS FROM OCIMUM TENUIFLORUM L.
AbstractThe present study aimed to identify potential anti-HIV phytoconstituents from Ocimum tenuiflorum through a novel extraction strategy combined with LC–MS/QTOF-based phytochemical profiling, ADMET and PASS server predictions, HIV target proteins to elucidate bioactive compounds with promising antiviral potential. The LC-MS analysis of the extract revealed the presence of 17 compounds, including flavanones, isoflavones, phenolics, terpenoids, coumarins, and thiazole derivatives. ADMET analysis indicated that most of these phytoconstituents exhibited favourable drug-likeness properties and belonged to toxicity classes IV, V, or VI, suggesting that they are non-toxic and potentially safe for therapeutic use. PASS server predictions revealed that the compounds possess significant HIV integrase-inhibitory activity.
Article Information
22
1259-1266
594 KB
6
English
IJPSR
Manohar Pundaleekappa Shinhasan and Deepa Machampalayam Arumugam *
Department of Botany, Government Arts College (A), Coimbatore, Tamil Nadu, India.
deepapat2007@gmail.com
23 November 2025
28 December 2025
31 December 2025
10.13040/IJPSR.0975-8232.17(4).1259-66
01 April 2026
Download