Discovery and In Vitro Efficacy Evaluation of Novel Anti-tumor Drugs Based on Triazolothiazide
To explore the effect of substituents on the 6-position benzene ring of the triazolothiazide skeleton on its anti-tumor activity,based on the our previous research,selected the reported triazolothiazide derivative TR-33 as the lead compound,structure based drug optimization strategy adopted to design 10 triazolothiazide skeleton 6-position benzene ring substituted derivatives.Through the molecular docking software SYBYL 7.3,drug screening was carried out targeting human microtubule proteins,and two small molecules with high potential were obtained and chemically synthesized.In vitro anti-tumor activity showed that two compounds had good inhibitory activity on human colon cancer cell lines(HT-29).This study provides reference for the design and optimization of such structures in the future.
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