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Volume 32, Issue 9
  • ISSN: 0929-8673
  • E-ISSN: 1875-533X

Abstract

Introduction

The pandemic caused by SARS-CoV-2 significantly impacted human life around the globe. Numerous unexpected modifications of the SARS-CoV-2 genome have resulted in the emergence of new types and have caused great concern globally.

Methods

Inhibitory effects of bioactive phytochemicals derived from natural and synthetic sources are promising for pathogenic viruses. and techniques were used in the current study to identify novel inhibitors of coumarin clubbed thiazolo[3,2-][1,2,4]triazoles against the SARS-CoV-2 spike protein.

Results

Interestingly, all the tested molecules demonstrated substantial inhibition of spike protein with 91.81-57.90% inhibition. The spike protein was remarkably inhibited by compounds (91.83%), (89.75%), (87.69%), (86.60%), (85.40%), (84.70%), (84.70%), (83.40%), (82.60%), (81.90%), while compounds and exhibited significant activity against spike protein with 79.60%, 77.10%, 75.30%, and 57.90% inhibition, respectively. The binding mechanism of these novel inhibitors with spike protein was deduced , which reflects that the active molecules firmly bind with the receptor binding domain (RBD) of spike protein, thereby inhibiting its function.

Conclusion

The combined and investigations unfold the therapeutic potential of coumarin-thiazolotriazole scaffolds in the treatment of SARS-CoV-2 infection.

© 2025 Bentham Science Publishers
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2024-09-23
2025-06-28

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Exploring the Therapeutic Potential of Coumarin-thiazolotriazole Pharmacophores for SARS-CoV-2 Spike Protein through In-vitro and In-silico Evaluation
Curr. Med. Chem. 32, 1817 (2025); https://doi.org/10.2174/0109298673323284240911052131
/content/journals/cmc/10.2174/0109298673323284240911052131
/content/journals/cmc/10.2174/0109298673323284240911052131
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  • Article Type:     Research Article
Keyword(s): Coumarin; in vitro inhibition; molecular docking; SARS-CoV-2; spike protein; thiazolotriazoles

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