GC-MS profiling of Bauhinia variegata major phytoconstituents with computational identification of potential lead inhibitors of SARS-CoV-2 Mpro
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Keywords
Bauhinia variegata
SARS-CoV-2 main protease
Molecular docking
Secondary metabolites
2,5 dimethyl 1-H Pyrrole
Dynamic simulation
Prime MM/GBSA free Energy calculations
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