List of works - Anand Balupuri

3D-QSAR study of tetrahydro-3H-imidazo[4,5-c]pyridine derivatives as VEGFR-2 kinase inhibitors using various charge schemes.

scientific article

Aggregation Mechanism of Alzheimer's Amyloid β-Peptide Mediated by α-Strand/α-Sheet Structure

scientific article published on 07 February 2020

Design of Novel Chemotherapeutic Agents Targeting Checkpoint Kinase 1 Using 3D-QSAR Modeling and Molecular Docking Methods

scientific article published in September 2016

Design, synthesis, docking and biological evaluation of 4-phenyl-thiazole derivatives as autotaxin (ATX) inhibitors

scientific article published on 16 July 2017

Discovery and optimization of ATX inhibitors via modeling, synthesis and biological evaluation

scientific article published on 17 February 2018

Docking-based 3D-QSAR study of pyridyl aminothiazole derivatives as checkpoint kinase 1 inhibitors.

scientific article

Enzyme Kinetics and Molecular Docking Studies on Cytochrome 2B6, 2C19, 2E1, and 3A4 Activities by Sauchinone.

scientific article published on 2 March 2018

In silico characterization of binding mode of CCR8 inhibitor: homology modeling, docking and membrane based MD simulation study

scientific article published on 23 January 2015

In silico study of 1-(4-Phenylpiperazin-1-yl)-2-(1H-pyrazol-1-yl) ethanones derivatives as CCR1 antagonist: homology modeling, docking and 3D-QSAR approach

scientific article

In silico study on indole derivatives as anti HIV-1 agents: a combined docking, molecular dynamics and 3D-QSAR study

scientific article published on 14 December 2013

Inhibition of β-site amyloid precursor protein cleaving enzyme 1 and cholinesterases by pterosins via a specific structure-activity relationship with a strong BBB permeability

scientific article published on 12 February 2019

Molecular modeling studies on series of Btk inhibitors using docking, structure-based 3D-QSAR and molecular dynamics simulation: a combined approach.

scientific article published on 23 December 2015

Pharmacophoric Site Identification and Inhibitor Design for Autotaxin

scientific article published on 01 August 2019

Receptor-guided 3D-QSAR studies, molecular dynamics simulation and free energy calculations of Btk kinase inhibitors

scientific article

Small Molecule Inhibitors of DYRK1A Identified by Computational and Experimental Approaches

scientific article published on 17 September 2020

The Study on the hERG Blocker Prediction Using Chemical Fingerprint Analysis

scientific article published on 04 June 2020

The nociceptin receptor (NOPR) and its interaction with clinically important agonist molecules: a membrane molecular dynamics simulation study

scientific article published on 26 September 2014

Topological Water Network Analysis Around Amino Acids

scientific article published on 22 July 2019

List of works by Anand Balupuri

3D-QSAR study of tetrahydro-3H-imidazo[4,5-c]pyridine derivatives as VEGFR-2 kinase inhibitors using various charge schemes.

Aggregation Mechanism of Alzheimer's Amyloid β-Peptide Mediated by α-Strand/α-Sheet Structure

Design of Novel Chemotherapeutic Agents Targeting Checkpoint Kinase 1 Using 3D-QSAR Modeling and Molecular Docking Methods

Design, synthesis, docking and biological evaluation of 4-phenyl-thiazole derivatives as autotaxin (ATX) inhibitors

Discovery and optimization of ATX inhibitors via modeling, synthesis and biological evaluation

Docking-based 3D-QSAR study of pyridyl aminothiazole derivatives as checkpoint kinase 1 inhibitors.

Enzyme Kinetics and Molecular Docking Studies on Cytochrome 2B6, 2C19, 2E1, and 3A4 Activities by Sauchinone.

In silico characterization of binding mode of CCR8 inhibitor: homology modeling, docking and membrane based MD simulation study

In silico study of 1-(4-Phenylpiperazin-1-yl)-2-(1H-pyrazol-1-yl) ethanones derivatives as CCR1 antagonist: homology modeling, docking and 3D-QSAR approach

In silico study on indole derivatives as anti HIV-1 agents: a combined docking, molecular dynamics and 3D-QSAR study

Inhibition of β-site amyloid precursor protein cleaving enzyme 1 and cholinesterases by pterosins via a specific structure-activity relationship with a strong BBB permeability

Molecular modeling studies on series of Btk inhibitors using docking, structure-based 3D-QSAR and molecular dynamics simulation: a combined approach.

Pharmacophoric Site Identification and Inhibitor Design for Autotaxin

Receptor-guided 3D-QSAR studies, molecular dynamics simulation and free energy calculations of Btk kinase inhibitors

Small Molecule Inhibitors of DYRK1A Identified by Computational and Experimental Approaches

The Study on the hERG Blocker Prediction Using Chemical Fingerprint Analysis

The nociceptin receptor (NOPR) and its interaction with clinically important agonist molecules: a membrane molecular dynamics simulation study

Topological Water Network Analysis Around Amino Acids