The Thiadiazole Ring (THD) Is a Building Block for Potential Inhibitors of the SARS-CoV-2 Main Protease (Mpro): Theoretical Look into the Structure, Reactivity, and Binding Profile of Three 1,3,4-THD Derivatives toward Mpro

Author:

Shanthakumar Dileep Chikkur1,Nagarajappa Lohith Tumakuru23,Isamura Bienfait Kabuyaya456ORCID,Leoma Mofeli Benedict7,Mokgopa Kabelo Phuti7,Anandalwar Sridhar Mandayam2,Doreswamy Sahana8,Ningaiah Srikantamurthy9ORCID

Affiliation:

1. Department of Physics, Vidyavardhaka College of Engineering, Visvesvaraya Technological University, Mysuru 570 002, India

2. Department of Physics, The National Institute of Engineering (North Campus), Mysuru 570 018, India

3. Department of Studies in Physics, University of Mysore, Mysore 570 006, India

4. Department of Chemistry, Faculty of Science, University of Kinshasa, Kinshasa B.P. 190, Democratic Republic of the Congo

5. Research Center for Theoretical Chemistry and Physics, Faculty of Science, University of Kinshasa, Kinshasa B.P. 190, Democratic Republic of the Congo

6. Department of Chemistry, The University of Manchester, Manchester M13 9PL, UK

7. Department of Chemistry, Rhodes University, Makhanda 6140, South Africa

8. Department of Physics, Mysore University School of Engineering, Manasagangotri, University of Mysore, Mysore 570 006, India

9. Department of Chemistry, Vidyavardhaka College of Engineering, Visvesvaraya Technological University, Mysuru 570 002, India

Publisher

MDPI

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