In silico molecular docking reveals COX-2 binding by Annona glabra leaf compounds, suggesting potential analgesic activity through inflammatory mediator inhibition.
Annona glabra Linn. is also known as pond apple. It belongs to the family Annonaceae. It is traditionally used for the treatment of inflammatory and pain-related conditions. Many studies have been conducted on its anti-inflammatory and analgesic activities. In this study, we evaluated the in silico analgesic activity of Annona glabra Linn by taking β-caryophyllene and caryophyllene oxide. These compounds were identified through mass spectroscopy. The molecular docking study demonstrated that β-caryophyllene and caryophyllene oxide exhibited favourable binding affinities toward COX-2 (PDB ID: 3PGH), suggesting their potential analgesic activity through inhibition of inflammatory mediators. β-Caryophyllene showed a slightly stronger binding affinity than caryophyllene oxide. The result obtained from the study indicates that Annona glabra linn leaves contain potential analgesic activity.
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Sandhra Philip*1, Parvathy S.1a, Poornima P. A.1b, Pavithra B. Nair1c, Anuja S. Noor1d, Salu Martin1e (2026) studied this question.
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