Computational insights into a protease inhibitor from Streptomyces globosus VITSMAB-2 molecular docking and dynamics simulations against SARS-CoV-2 main protease.

Publication date: Dec 13, 2025

Concepts	Keywords
Docking	ADMET
Informatics	Cysteine protease inhibitor
Molecular	Molecular docking
Protease	Phenyl carbamate
Streptomyces	SARS-CoV-2 main protease.
	Streptomyces globosus VITSMAB-2

Type	Source	Name
pathway	REACTOME	Reproduction
disease	MESH	included
drug	DRUGBANK	Aspartame
pathway	KEGG	Viral replication
drug	DRUGBANK	L-Cysteine
drug	DRUGBANK	Serine
drug	DRUGBANK	Papain
drug	DRUGBANK	Trypsin
pathway	REACTOME	Metabolism
disease	MESH	common cold
disease	MESH	Middle East Respiratory Syndrome
disease	MESH	severe acute respiratory syndrome
disease	MESH	COVID 19
drug	DRUGBANK	Histidine
pathway	KEGG	Influenza A
disease	MESH	Park
disease	MESH	strains
drug	DRUGBANK	Water
drug	DRUGBANK	Tromethamine
drug	DRUGBANK	Acetic acid
drug	DRUGBANK	Lysozyme
drug	DRUGBANK	Ethanol
drug	DRUGBANK	Minaprine
drug	DRUGBANK	Aluminium
drug	DRUGBANK	Medical air
disease	MESH	PDA
drug	DRUGBANK	Silicon dioxide
drug	DRUGBANK	Coenzyme M