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Hybrid Molecules of Thiadiazole-based Benzothioate and Benzenesulfonothioate: Synthesis, Structural Analysis, and Evaluation as Potential Inhibitors of Thymidine Phosphorylase and β-Glucuronidase Through in Vitro and in Silico Approaches by Yousaf Khan; Shoaib Khan; Wajid Rehman; Rafaqat Hussain; Aneela Maalik; Farhan Ali; Muhammad Usman Khan; Abdul Sattar; Mohammed A. Assiri is a Chemistry article available to read on EtoBox.

What is Hybrid Molecules of Thiadiazole-based Benzothioate and Benzenesulfonothioate: Synthesis, Structural Analysis, and Evaluation as Potential Inhibitors of Thymidine Phosphorylase and β-Glucuronidase Through in Vitro and in Silico Approaches about?

The thiadiazole-based benzothioate (3a-f) and benzenesulfonothioate (5a-f) hybrid derivatives were designed and synthesized in a single step reaction. All the synthesized compounds structures were confirmed through spectroscopic techniques including 1 H NMR, 13 C NMR and HRMS (ESI). Then, the synthesized compounds were subjected to in vitro thymidine phosphorylase and beta-glucuronidase inhibition profile. All the newly synthesized moieties (3a-f) & (5a-f) were found potent and showed moderately to good inhibition profile. Among benzothioate analogues (3a-f), the analogues 3d and 3c were identified to be active inhibitors of thymidine phosphorylase and beta-glucuronidase enzymes having IC 50 values of 2.11 ± 0.31 μM & 3.28 ± 0.20 μM (against thymidine phosphorylase) and 2.50 ± 0.20 μM & 3.71 ± 0.10 μM (against beta-glucuronidase) respectively. However, among benzenesulfonothioate (5a-f) analogues, analogues 5a and 5d were found to be significantly active, even more than standard drugs with IC50 values of 2.23 ± 0.13 μM & 3.10 ± 0.17 μM (against thymidine phosphorylase) and 3.12 ± 0.20 μM & 5.60 ± 0.34 μM respectively. The results were compared to standard drugs such as D-saccharic

Who reads Hybrid Molecules of Thiadiazole-based Benzothioate and Benzenesulfonothioate: Synthesis, Structural Analysis, and Evaluation as Potential Inhibitors of Thymidine Phosphorylase and β-Glucuronidase Through in Vitro and in Silico Approaches?

Author

Yousaf Khan; Shoaib Khan; Wajid Rehman; Rafaqat Hussain; Aneela Maalik; Farhan Ali; Muhammad Usman Khan; Abdul Sattar; Mohammed A. Assiri

Publisher

Elsevier BV

Published

2023

Language

EN

Field

Chemistry (Physical Sciences)