Jibin K. Varughese
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View article: Inhibitory Activity of Chalcones as MAO‐B Inhibitors: An Insight from Molecular Docking, ADME Analysis, MD Simulation, and MM‐PBSA Calculations
Inhibitory Activity of Chalcones as MAO‐B Inhibitors: An Insight from Molecular Docking, ADME Analysis, MD Simulation, and MM‐PBSA Calculations Open
Alzheimer's disease, which is recognized as a progressive, multifaceted neurodegenerative disorder, is the main factor in late‐life dementia. Monoamine oxidase‐B (MAO‐B) has recently been identified as a potential therapeutic target for Al…
View article: Biomolecular interactions between the antibacterial ceftolozane and the human inflammatory disease target ADAM17: a drug repurposing study
Biomolecular interactions between the antibacterial ceftolozane and the human inflammatory disease target ADAM17: a drug repurposing study Open
Inhibition of a disintegrin and metalloproteinase-17 (ADAM17), a metzincin, is proposed as a novel therapeutic strategy to suppress overproduction of the proinflammatory cytokine TNF-α in rheumatoid arthritis and inflammatory bowel disease…
View article: Targeting COVID-19 pandemic: in silico evaluation of 2-hydroxy-1, 2-diphenylethanone N(4)-methyl-N(4)-phenylthiosemicarbazone as a potential inhibitor of SARS-CoV-2
Targeting COVID-19 pandemic: in silico evaluation of 2-hydroxy-1, 2-diphenylethanone N(4)-methyl-N(4)-phenylthiosemicarbazone as a potential inhibitor of SARS-CoV-2 Open
View article: Identification of some dietary flavonoids as potential inhibitors of TMPRSS2 through protein–ligand interaction studies and binding free energy calculations
Identification of some dietary flavonoids as potential inhibitors of TMPRSS2 through protein–ligand interaction studies and binding free energy calculations Open
View article: Identification of Some Dietary Flavonoids as Potential Inhibitors of TMPRSS2 Through Protein-ligand Interaction Studies and Binding Free Energy Calculations
Identification of Some Dietary Flavonoids as Potential Inhibitors of TMPRSS2 Through Protein-ligand Interaction Studies and Binding Free Energy Calculations Open
The alarming increase in COVID-19 cases and deaths calls for an urgent cost-effective pharmacological approach. Here, we examine the inhibitory activity of a group of dietary bioactive flavonoids against the human protease TMPRSS2, which p…
View article: Investigation of the inhibitory activity of some dietary bioactive flavonoids against SARS-CoV-2 using molecular dynamics simulations and MM-PBSA calculations
Investigation of the inhibitory activity of some dietary bioactive flavonoids against SARS-CoV-2 using molecular dynamics simulations and MM-PBSA calculations Open
Eventhough the development of vaccine against COVID-19 pandemic is progressing in different part of the world a well-defined treatment plan is not yet developed. Therefore, we investigate the inhibitory activity of a group of dietary bioac…