Since the commencement of the novel Coronavirus, the disease has quickly turned into a
worldwide crisis so that there has been growing attention in discovering possible hit …

Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …

In this study, we examined five previously synthesized compounds and checked their
binding affinity towards the SARS-CoV-2 main protease (Mpro) by molecular docking study …

The COVID-19 pandemic has emerged as a global medico-socio-economic disaster. Given
the lack of effective therapeutics against SARS-CoV-2, scientists are racing to disseminate …

Molecular dynamics (MD) is a core methodology of molecular modeling and computational
design for the study of the dynamics and temporal evolution of molecular systems. MD …

This work deals with the synthesis, crystal structure, computational study and antiviral
potential of mixed ligand copper (II) complex [Cu (L)(phen)](1),(where, H 2 L=(Z)-N'-((E)-2 …

It is of interest to document the Molecular Dynamics Simulation and docking analysis of NF-
κB target with sulindac sodium in combating COVID-19 for further consideration. Sulindac is …

The global pandemic COVID-19 in 2019 has led to a continued search for promising
potential molecules to combat human viral diseases. An in silico strategy was attempted to …

Abstract Focal Adhesive Kinase (FAK), a key player in aggressive cancers, mediates signals
crucial for progression, invasion, and metastasis. Despite advances in targeted therapies …

Meso‐1, 2‐diphenyl‐1, 2‐ethylenediamine was reacted with salicylaldehyde derivatives,
copper (II) perchlorate, and pyridine to produce various four‐coordinated heteroleptic [Cu …