Molecular Dynamics Simulation, QSAR, DFT, Molecular Docking, ADMET, and Synthesis of Ethyl 3-((5-Bromopyridin-2-yl)Imino)Butanoate Analogues as Potential Inhibitors of SARS-CoV-2

F. M. Mashood Ahameda PG and Research Department of Chemistry, Jamal Mohamed College (Autonomous), Affiliated to Bharathidasan University, Tiruchirappalli, Tamil Nadu, India

Sampath Chinnamb Department of Chemistry, M. S. Ramaiah Institute of Technology (Affiliated to Visvesvaraya Technological University, Belgaum), Bengaluru, Karnataka, IndiaCorrespondence[email protected]

https://orcid.org/0000-0002-5334-9076

Malathi Challab Department of Chemistry, M. S. Ramaiah Institute of Technology (Affiliated to Visvesvaraya Technological University, Belgaum), Bengaluru, Karnataka, India

Gurushantha Kariyannab Department of Chemistry, M. S. Ramaiah Institute of Technology (Affiliated to Visvesvaraya Technological University, Belgaum), Bengaluru, Karnataka, India

Ajoy Kumerc Department of Chemistry, Laboratory of Computational Research for Drug Design and Material Science, European University of Bangladesh, Dhaka, Bangladesh

https://orcid.org/0000-0001-5136-6166

Sapana Jadound Facultad de Ciencias Químicas, Laboratorio de Especiación y Trazas Elementales, Departamento de Química Analítica e Inorgánica, Universidad de Concepción, Concepción, Chile

https://orcid.org/0000-0002-3572-7934

Ahmad Salawie Department of Pharmaceutics, College of Pharmacy, Jazan University, Jazan, Saudi Arabia

https://orcid.org/0000-0001-6342-284X

Abdullah G. Al-Sehemif Department of Chemistry, King Khalid University, Abha, Saudi Arabia

Unesco Chakmac Department of Chemistry, Laboratory of Computational Research for Drug Design and Material Science, European University of Bangladesh, Dhaka, Bangladesh

https://orcid.org/0000-0003-1711-7216

Md. Abdullah Al Mashudg Department of Electrical & Electronic Engineering, Biophysics and Biomedicine Research Laboratory, Islamic University, Kushtia, Bangladesh

Indu Kumarih Department of Biotechnology, Chandigarh Group of Technology, Chandigarh Group of Colleges, Mohali, Punjab, IndiaCorrespondence[email protected]

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Molecular Dynamics Simulation, QSAR, DFT, Molecular Docking, ADMET, and Synthesis of Ethyl 3-((5-Bromopyridin-2-yl)Imino)Butanoate Analogues as Potential Inhibitors of SARS-CoV-2

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Molecular Dynamics Simulation, QSAR, DFT, Molecular Docking, ADMET, and Synthesis of Ethyl 3-((5-Bromopyridin-2-yl)Imino)Butanoate Analogues as Potential Inhibitors of SARS-CoV-2

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