ZOO-1851: In-Silico Identification of Potential Phytochemical Inhibitors of Uridine-Cytidine Kinase 2 in Hepatocellular Carcinoma | 4th International Conference of Sciences “Revamped Scientific Outlook of 21st Century, 2025” , November 12,2025 2025

Author(s)

M. Waqas Department of Zoology, Division of Science and Technology, University of Education Lahore, Pakistan.

Muhammad Latif Department of Zoology, Division of Science and Technology, University of Education Lahore, Pakistan.

Rana M. Mateen Department of Life Sciences, Faculty of sciences, University of Management and Technology,Johar Town Lahore, Pakistan.

Rana M. Kamran Shabbir Department of Zoology, Rawalpindi Women University,Rawalpindi, Pakistan.

Abstract

Hepatocellular carcinoma is the most common type of primary liver malignancies. About 80-90% of all primary liver malignancies globally are caused by it. HCC is the most prevalent kind of liver cancer, and a major cause of cancer related deaths worldwide. The over expression of Uridine-cytidine Kinase 2 protein is observed in the liver cells of the patients afflicted with hepatocellular carcinoma (HCC). One of the effective strategies to improve the outcomes of HCC treatment is to target the UCK-2 with therapeutic activity. Present study was designed to explore the inhibitor for the over expressing protein. In-silico approaches to investigate the potential phytochemical functioning as UCK-2 protein inhibitor was employed. Molecular docking was performed to find the potential phytochemical having lowest binding energy, to assess the inhibitory effects and binding relationships between UCK-2 protein and particular phytochemical. We have further considered ADMET features that are relevant in recruiting compounds as therapeutic agents. As a result, potential phytochemical (Piroxicam) with ligand ID (CID_54676228) having lowest binding energy about -8.6 kcal/mole was obtained. To check the validity of our result, we performed molecular docking of a naturally binding inhibitor named as UCK 2 Inhibitor-3 as a reference compound that showed binding energy of about -6.9 kcal/mole. This validation showed that our obtained phytochemical (Piroxicam) with comparatively low binding energy is more stable compound than naturally bind ligand and can be used to inhibit the overexpression of UCK2 as well as therapeutic agent for HCC.

Publication Details

Page(s) 218-218

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 Hepatocellular Carcinoma HCC Piroxicam UCK2 UridineCytidine Kinase 2

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