Author(s):
Swati Jain, Sukhwant Singh
Email(s):
jain.swati71289@gmail.com , singh.sukhwant@gmail.com
DOI:
10.52711/0974-360X.2025.00477 
Address:
Swati Jain1, Sukhwant Singh2
1Faculty of Pharmaceutical Sciences, Sanjeev Agrawal Global Educational University, Bhopal, Madhya Pradesh, India.
2Sagar Institute of Research and Technology – Pharmacy, Sanjeev Agrawal Global Educational University, Bhopal, Madhya Pradesh, India.
*Corresponding Author
Published In:
Volume - 18,
Issue - 7,
Year - 2025
ABSTRACT:
Pain is a complex physiological process that involves the activation of nociceptors and transmission of pain signals to the brain. COX-2 (Cyclooxygenase-2) is an inducible enzyme that plays a key role in the inflammatory process by converting arachidonic acid into prostaglandins, particularly PGE2, which sensitizes nociceptors and leads to pain perception. Inhibiting COX-2 can reduce inflammation and pain, making it a significant target for drug discovery. This study utilizes computational approaches to explore the binding interactions of natural compounds with COX-2 (PDB ID: 4COX) using molecular docking. Ajmalicin forms van der Waals interactions with residues like VAL:116 and hydrogen bonds with ARG:120 and TYR:355, ensuring strong stability in the binding site. Vellosimine and Vellosiminol exhibit similar interaction profiles, primarily engaging hydrophobic and aromatic residues through van der Waals and Pi-alkyl interactions. Vinorine, the focus of the table, binds extensively to COX-2 through van der Waals and Pi-alkyl interactions with residues such as LEU A:531, MET A:522, and PHE A:518, stabilizing its position within the hydrophobic binding pocket. These natural compounds show potential as COX-2 inhibitors, offering avenues for developing new anti-inflammatory agents.
Cite this article:
Swati Jain, Sukhwant Singh. COX-2 as a Therapeutic Target: An in Silico Approach to Indole Alkaloids for Analgesic Discovery. Research Journal of Pharmacy and Technology. 2025;18(7):3302-6. doi: 10.52711/0974-360X.2025.00477
Cite(Electronic):
Swati Jain, Sukhwant Singh. COX-2 as a Therapeutic Target: An in Silico Approach to Indole Alkaloids for Analgesic Discovery. Research Journal of Pharmacy and Technology. 2025;18(7):3302-6. doi: 10.52711/0974-360X.2025.00477 Available on: https://rjptonline.org/AbstractView.aspx?PID=2025-18-7-57
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