In silico identification of potential inhibitors against main protease of SARS-CoV-2 6LU7 from Andrographis panniculata via molecular docking, binding energy calculations and molecular dynamics simulation studies

Mayakrishnan Vijayakumar, Balakarthikeyan Janani, Priya Kannappan, Senthil Renganathan, Sameer Al-Ghamdi, Mohammed Alsaidan, Mohamed A. Abdelaziz, Abubucker Peer Mohideen, Mohammad Shahid, Thiyagarajan Ramesh

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Pharmacology, Toxicology and Pharmaceutical Science