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International Journal of Advanced Pharmaceutical and Healthcare

Peer-reviewed | Open Access | International Journal

ISSN 3144-5055

In Silico Evaluation of Hesperidin as a Cox-2/ Pge2 Signaling Inhibitor for Renal Cancer Therapy through Docking Analysis and Drug- Likeness Evaluation Analysis

2026/10/1
VOLUME 1, ISSUE 2
Research Article
Published

Authors

Brunda M. A.*, Bindu M. A., Sneha N., B. Subhashini, E. Gopinath

Abstract

Since renal carcinoma is amongst the most common illnesses in the world, developing novel treatments is crucial. Hesperidin, A naturally derived flavonoid, has remained inspected for prostate cancer and has demonstrated anticancer benefits through the COX-2/PGE2 pathway. Molecular docking simulations involving COX-2 (PDB ID: 5F1A) were undertaken and the outcomes were assessed relative to the co-crystallized ligand (5F1F) and an FDA-approved drug medications including lenvatinib, belzutifan, and cabozantinib. PyRx computational docking used to examine the binding efficacy of hesperidin with respect to other common drugs and the co-crystal ligand. Discovery Studio was utilized to analyse binding interactions. ADMET parameters were examined using pkCSM to look at pharmacokinetic characteristics and drug-likeness. In contrast to the Co - crystal ligand (5F1F-9.4kcal/mol), the binding energy values obtained for hesperidin, lenvatinib, belzutifan, and cabozantinib were -8.4, -7.9, -8.4, and -8.5 kcal/mol, respectively. The findings demonstrated that hesperidin had favourable interactions with significant residues, including ASN222, COH602, and LYS211, VAL291. Comparable to FDA-authorized medications for renal cancer. ADMET study revealed that hesperidin complied with Lipinski's criteria and had favourable drug interactions. Hesperidin showed potent inhibitory potential compared to the COX-2/PGE2 signaling pathway in renal cell carcinoma, affording through in silico molecular docking studies. Given that it demonstrated a binding affinity of comparable with that of traditional drugs, it displays potential as a probable therapeutic alternative for the action of kidney cancer.

Keywords

Hesperidin molecular docking renal growth binding affinity COX-2/PGE2 pathway ADMET binding interactions.

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Citation

Brunda M. A., Bindu M. A., Sneha N., B. Subhashini, E. Gopinath (2026) In Silico Evaluation of Hesperidin as a Cox-2/ Pge2 Signaling Inhibitor for Renal Cancer Therapy through Docking Analysis and Drug- Likeness Evaluation Analysis. International Journal of Advanced Pharmaceutical and Healthcare, 1(2), 23–27.

DOI: https://doi.org/10.5281/zenodo.23342845

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