Design, Synthesis, Biological Evaluation and Molecular Docking Studies of New Thiazolidinone Derivatives As NNRTIs and SARS-CoV-2 Main Protease Inhibitors

Overview

Journal Chem Biodivers

Specialty Biochemistry

Date 2024 Oct 23

PMID 39442074

Authors

Maria Fesatidou

Anthi Petrou

Athina Geronikaki

Affiliations

Soon will be listed here.

Abstract

HIV-1 remains a major health problem worldwide since the virus has developed drug-resistant strains, so, the need for novel agents is urgent. The protein reverse transcriptase plays fundamental role in the viruses' replication cycle. FDA approved Delavirdine bearing a sulfonamide moiety, while thiazolidinone has demonstrated significant anti-HIV activity as a core heterocycle or derivative of substituted heterocycles. In this study, thirty new thiazolidinone derivatives (series A, B and C) bearing sulfonamide group were designed, synthesized and evaluated for their HIV-1 RT inhibition activity predicted by computer program PASS taking into account the best features of available NNRTIs as well as against SARS-COV-2 main protease. Seven compounds showed good anti-HIV inhibitory activity, with two of them, C1 and C2 being better (IC 0.18 μΜ & 0.12 μΜ respectively) than the reference drug nevirapine (IC 0.31 μΜ). The evaluation of molecules to inhibit the main protease revealed that 6 of the synthesized compounds exhibited excellent to moderate activity with two of them (B4 and B10) having better IC values (0.15 & 0.19 μΜ respectively) than the reference inhibitor GC376 (IC 0.439 μΜ). The docking studies is coincides with experimental results, showing good binding mode to both enzymes.

Citing Articles

Design, Synthesis, Biological Evaluation and Molecular Docking Studies of New Thiazolidinone Derivatives as NNRTIs and SARS-CoV-2 Main Protease Inhibitors.

Fesatidou M, Petrou A, Geronikaki A Chem Biodivers. 2024; 21(12):e202401697.

PMID: 39442074 PMC: 11644116. DOI: 10.1002/cbdv.202401697.

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