@article{article_1416223, title={Molecular Docking and DFT Analysis of Thiazolidinone-Bis Schiff Base for anti-Cancer and anti-Urease Activity}, journal={Journal of the Institute of Science and Technology}, volume={14}, pages={822–834}, year={2024}, DOI={10.21597/jist.1416223}, author={Gören, Kenan and Bağlan, Mehmet and Yıldıko, Ümit and Tahiroğlu, Veysel}, keywords={DFT, NBO, MEP, Moleküler yerleştirme, Tiazolidinon-bis schiff bazı}, abstract={This reearch focused on the structural characterization of (2Z,5E)-2-(((E)-benziliden) hidraziniliden)-5-(nitro(fenil)metilen)-3-feniltiazolidin-4-on molecule (Thiazolidinone-Bis Schiff Base). Depending on the molecule’s stability phase geometry, all analyses have been carried out utilizing the B3PW91 technique with 6-311++G(d,p) and SDD basis sets, for structural characterisation. Many computations were performed in our work, including inter-orbital and inter-orbital bond interactions, HOMO-LUMO energy deficiencies, and electrostatic surface mapping processes of the Thiazolidinone-Bis Schiff Base. In a subsequent investigation, we have used molecular docking to analyze the particular binding place and method of the ligand onto the protein. Schiff Thiazolidinone Molecular docking results against cancer and urease enzymes were obtained.}, number={2}, publisher={Iğdır Üniversitesi}