169828211773884541
169828211773884541
268667521773543883
268667521773543883
3LN1, 5KIR and 3KK6
Identification of novel potential cyclooxygenase-2 inhibitors using ligand- and structure-based virtual screening approaches 3
2KID
Designing of potential inhibitors against Staphylococcus aureus sortase A: Combined analogue and structure based approach with in vitro validation 1
3lk7
Identification of Potential Inhibitors of MurD Enzyme of Staphylococcus aureus from a Marine Natural Product Library 2
6LU7
Drug Repurposing to Identify Nilotinib as a Potential SARS-CoV-2 Main Protease Inhibitor: Insights from a Computational and In Vitro Study 9
1QR2
Drug repurposing: Fusidic acid as a potential inhibitor of M. tuberculosis FtsZ polymerization – Insight from DFT calculations, molecular docking and molecular dynamics 1
PA N-terminal (blue) (PDB ID: 6FS6) , PA-I38T N-terminal (white) (PDB ID: 6FS7
Drug Repurposing for Influenza Virus Polymerase Acidic (PA) Endonuclease Inhibitor 1
4HBU
High Throughput Virtual Screening and Molecular Dynamics Simulation for Identifying a Putative Inhibitor of Bacterial CTX-M-15 1
PDB ID – not available
Structural analysis, virtual screening and molecular simulation to identify potential inhibitors targeting 2′-O-ribose methyltransferase of SARS-CoV-2 coronavirus 1