In silico evaluation of S-adenosyl-L-homocysteine analogs as inhibitors of nsp14-viral cap N7 methyltranferase and PLpro of SARS-CoV-2: synthesis, molecular docking, physicochemical data, ADMET and molecular dynamics simulations studies

Ritika Srivastavaa Department of Chemical Sciences, Indian Institute of Science Education and Research Berhampur, Odisha, India;b Bioorganic Research Laboratory, Department of Chemistry, University of Allahabad, Allahabad, IndiaView further author information

Saroj Kumar Pandaa Department of Chemical Sciences, Indian Institute of Science Education and Research Berhampur, Odisha, IndiaView further author information

Parth Sarthi Sen Guptac School of Biosciences and Bioengineering, D Y Patil International University, Akurdi, IndiaView further author information

Anvita Chaudharyd Department of Applied Chemistry, Delhi Technological University, Delhi, IndiaView further author information

Farha Naazb Bioorganic Research Laboratory, Department of Chemistry, University of Allahabad, Allahabad, IndiaView further author information

Aditya K. Yadavb Bioorganic Research Laboratory, Department of Chemistry, University of Allahabad, Allahabad, IndiaView further author information

Nand Kumar Ramb Bioorganic Research Laboratory, Department of Chemistry, University of Allahabad, Allahabad, IndiaView further author information

Malay Kumar Ranaa Department of Chemical Sciences, Indian Institute of Science Education and Research Berhampur, Odisha, India

https://orcid.org/0000-0002-1713-8220 View further author information

Ramendra K. Singhb Bioorganic Research Laboratory, Department of Chemistry, University of Allahabad, Allahabad, IndiaView further author information

Richa Srivastavab Bioorganic Research Laboratory, Department of Chemistry, University of Allahabad, Allahabad, India;d Department of Applied Chemistry, Delhi Technological University, Delhi, IndiaCorrespondence[email protected]
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In silico evaluation of S-adenosyl-L-homocysteine analogs as inhibitors of nsp14-viral cap N7 methyltranferase and PLpro of SARS-CoV-2: synthesis, molecular docking, physicochemical data, ADMET and molecular dynamics simulations studies

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In silico evaluation of S-adenosyl-L-homocysteine analogs as inhibitors of nsp14-viral cap N7 methyltranferase and PLpro of SARS-CoV-2: synthesis, molecular docking, physicochemical data, ADMET and molecular dynamics simulations studies

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