SARS-CoV-2 Mpro binding profile and drug-likeness of two novel thiazole derivatives: structural elucidation, DFT studies, ADME-T and molecular docking simulations-Reference-Cited by-同舟云学术

SARS-CoV-2 Mpro binding profile and drug-likeness of two novel thiazole derivatives: structural elucidation, DFT studies, ADME-T and molecular docking simulations

Published:2022-12-28 Issue: Volume: Page:1-15
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Tumakuru Nagarajappa Lohith¹^ORCID,Ravi Singh Krishna²^ORCID,Kabuyaya Isamura Bienfait³⁴^ORCID,Vinay Kumar Koravangala S.⁵^ORCID,Mandayam Anandalwar Sridhar¹^ORCID,Sadashiva Maralingadoddi P.²^ORCID

Affiliation:

1. Department of Studies in Physics, University of Mysore, Mysuru, Karnataka, India

2. Department of Studies in Chemistry, University of Mysore, Mysuru, Karnataka, India

3. Department of Chemistry, The University of Manchester, Manchester, United Kingdom

4. Research Center for Theoretical Chemistry and Physics, Faculty of Science, University of Kinshasa, Kinshasa, Democratic Republic of the Congo

5. Anthem Biosciences Pvt Ltd, Bommasandra Industrial Area, Bommasandra, Bengaluru, Karnataka, India

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2022.2159880

Reference40 articles.

1. Synthesis and characterization of new thiazole-based Co(II) and Cu(II) complexes; therapeutic function of thiazole towards COVID-19 in comparing to current antivirals in treatment protocol

2. Design and synthesis of 2-aminothiazole based antimicrobials targeting MRSA

3. Recent Progress of Molecular Docking Simulations Applied to Development of Drugs

4. The Ames test: The two-fold rule revisited

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