Repurposing of Fluindione an Anti-Coagulant Drug Against Thymondylate Synthetase For Skin Cancer Management
Year: 2025
Type: article
Abstract: The drug repurposing of previously approved drugs is an attractive way to facilitate the development of new drugs for treating cancer. This study examined the feasibility of using the existing anticoagulant drug Fluindione as a potential inhibitor of thymidylate synthase (TS) for the treatment of skin cancer. Ligand-based virtual screening drug repurposing and molecular docking studies have revealed that Fluindione (DrugBank ID: DB13136) has a high binding affinity for TS and ranks as the leading compound for docking with a score of -7.6. The structure docked suggested Fluindione binds with C3 of the TS enzyme, a large binding pocket that is well-defined and accessible. This observation supports the potential for Fluindione to be an effective inhibitor of TS. Stabilization characteristics apparent from the docking characteristics of Fluindione and comparison features to the therapeutically relevant compound Fluorouracil indicate that fluindione may offer a more advantageous treatment opportunity as a single agent, or in conjunction with standard therapy in skin cancer. Overall, these findings provide strong evidence for the implementation of drug repossession drug design studies and suggest impetus for confirming Fluindione's anticancer potential through further research.
Author: Lokare Sonakshi*, Khamkar Sakshi, Karande Sankalp, Mithari Sanika, Kavade Sayali, Koli Namrata, Kharage Ankita, Lohar Dayanand, Kukade Akanksha
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W6911804552
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