ZOO-1940: In-Silico Analysis of Potential Phytochemical Targeting Glutathione Peroxidase 4(GPX4) in Thyroid Cancer | 4th International Conference of Sciences “Revamped Scientific Outlook of 21st Century, 2025” , November 12,2025 2025

Author(s)

Adeela Kousar Deptt. of Zoology, Division of Sci.& Technol., Univ. of Education,Lahore, Pakistan.

Muhammad Latif Deptt. of Zoology, Division of Sci.& Technol., Univ. of Education,Lahore, Pakistan.

Rizwan Khan Center for Biomedical Innovation & Technol., Puai Medical College, Shaoyang University,Hunan Province, People's Republic China.,

Rana M. Kamran Shabbir Deptt. of Zool., RWU,Rawalpindi, Pakistan.

Abstract

Thyroid cancer, regarded as a highly prevalent cancer in woman around the world. The incidence of thyroid tumorigenesis increasing day by day. Thyroid tumors formed because of over- expression of GPX4 protein, play role in ferroptosis by regulating oxidative stress. Hence targeting GPX4 can be a potential therapeutic agent in thyroid carcinoma. In-Silico studies have been carried out to find out the efficacy of various phytochemicals in the treatment of thyroid cancer and down regulating GPX4. Thus, over expressed protein docked against 96 ligands by molecular docking. Ligands (phytochemicals) were selected and screened on ADMET criteria which are useful for identifying compounds as therapeutic agents. Result findings suggest Piroxicam as top ligand with binding energy of -7.5kcal/mol. For further validation analysis, RSL3, a natural inhibitor of GPX4 used and docked against protein that gave 7.2kcal/mol binding energy, that makes piroxicam as more suitable. This validation showed that obtained phytochemical (piroxicam) is more stable compound than naturally bind ligand (RSL3) and can be used to inhibit the overexpression of GPX4 as well as therapeutic agent for thyroid cancer.

Publication Details

Page(s) 220-220

DOI DOI not available

Published Journal: 4th International Conference of Sciences “Revamped Scientific Outlook of 21st Century, 2025” , November 12,2025, Volume: 1, Issue: 1, Year: 2025

Keywords

Phytochemicals molecular docking Thyroid Cancer GPX4

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