Ciputat, July 28, 2025 – Valensi Chemistry Journal held an open lecture on “Optimization of Thiourea Derivatives for Anticancer Activity through In Silico and In Vitro Studies”, featuring Prof. Dr. Ruswanto, M.Si., a pharmaceutical chemistry expert from Universitas Bakti Tunas Husada. Prof. Ruswanto highlighted thiourea as a lipophilic urea derivative with strong potential to be developed into more selective and effective anticancer agents. Using an integrated approach, in silico simulations predicted molecular interactions with the ribonucleotide reductase (RR) enzyme, followed by in vitro tests on various cancer cell lines. Results revealed that several thiourea derivatives exhibited stronger cytotoxic activity than hydroxyurea, a commonly used anticancer drug.

The research found that strategic chemical modifications, such as adding specific substituents to the aromatic ring, significantly enhanced binding affinity and anticancer potency. One compound, 1-(4-heptylbenzoyl)-3-methylthiourea, achieved a notably low IC₅₀ value against T47D breast cancer cells, outperforming the original compound. This study underscores the importance of combining computational modeling, chemical synthesis, and biological validation in modern drug discovery. Future recommendations include larger-scale studies, in vivo testing, and comprehensive toxicological analysis to support the development of safe and effective thiourea-based anticancer drugs.