Vijay K. Bhardwaj - Publications

Novel pyrrolone-fused benzosuberene MK2 inhibitors: synthesis, pharmacophore modelling, molecular docking, and anti-cancer efficacy evaluation in HNSCC cells.

Journal: Journal of biomolecular structure & dynamics

Published: November 14, 2024

Computational and experimental analysis of Luteolin-β-cyclodextrin supramolecular complexes: Insights into conformational dynamics and phase solubility.

Journal: European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V

Published: September 06, 2024

Highly robust quantum mechanics and umbrella sampling studies on inclusion complexes of curcumin and β-cyclodextrin.

Journal: Carbohydrate polymers

Published: June 28, 2023

Dispersion-corrected DFT calculations and umbrella sampling simulations to investigate stability of Chrysin-cyclodextrin inclusion complexes.

Journal: Carbohydrate polymers

Published: April 21, 2023

A comparative study on inclusion complex formation between formononetin and β-cyclodextrin derivatives through multiscale classical and umbrella sampling simulations.

Journal: Carbohydrate polymers

Published: November 09, 2022

Structure restoration and aggregate inhibition of V30M mutant transthyretin protein by potential quinoline molecules.

Journal: International journal of biological macromolecules

Published: September 08, 2022

Inhibition of nonstructural protein 15 of SARS-CoV-2 by golden spice: A computational insight.

Journal: Cell biochemistry and function

Published: May 11, 2022

Identification of 11β-HSD1 inhibitors through enhanced sampling methods.

Journal: Chemical communications (Cambridge, England)

Published: April 01, 2022

A ricin-based peptide BRIP from Hordeum vulgare inhibits Mpro of SARS-CoV-2.

Journal: Scientific reports

Published: March 31, 2022

Theaflavin 3-gallate inhibits the main protease (Mpro) of SARS-CoV-2 and reduces its count in vitro.

Journal: Scientific reports

Published: March 12, 2022

Computational targeting of allosteric site of MEK1 by quinoline-based molecules.

Journal: Cell biochemistry and function

Published: March 07, 2022

Benchmarking the ability of novel compounds to inhibit SARS-CoV-2 main protease using steered molecular dynamics simulations.

Journal: Computers in biology and medicine

Published: February 15, 2022