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
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Title
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
Authors
Keywords
Corona, SARS-CoV-2, COVID-19 (6LU7), Natural compounds, Diterpenoids, Andrographolide, Molecular dynamic simulations
Journal
SAUDI JOURNAL OF BIOLOGICAL SCIENCES
Volume 29, Issue 1, Pages 18-29
Publisher
Elsevier BV
Online
2021-10-29
DOI
10.1016/j.sjbs.2021.10.060
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