List of works - Karthikeyan Muthusamy

<i>In Silico</i> Analysis of Drug Repurposing Strategy for the Identification of Potential NS3 Helicase Inhibitors Against Zika Virus

scientific article published in 2021

A computational study on role of 6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyoxane-2,4,5-triol in the regulation of blood glucose level.

scientific article

A theoretical insight to understand the molecular mechanism of dual target ligand CTA-018 in the chronic kidney disease pathogenesis

scientific article published in PLoS ONE

Antidiabetic, antihyperlipidaemic, and antioxidant activity of Syzygium densiflorum fruits in streptozotocin and nicotinamide-induced diabetic rats.

scientific article published on 24 December 2015

Atom-based and Pharmacophore-based 3D - QSAR Studies on Vitamin D Receptor (VDR)

scientific article published on 01 January 2018

Combined sequence and sequence-structure based methods for analyzing FGF23, CYP24A1 and VDR genes

scientific article published on 31 March 2016

Computational and Pharmacogenomic Insights on Hypertension Treatment: Rational Drug Design and Optimization Strategies

scientific article published on 01 January 2020

Computational and in vitro insights on snake venom phospholipase A2 inhibitor of phytocompound ikshusterol3-O-glucoside of Clematis gouriana Roxb. ex DC.

scientific article published on 24 November 2017

Computational insights into the inhibition of influenza viruses by rupestonic acid derivatives: pharmacophore modeling, 3D-QSAR, CoMFA and COMSIA studies

scientific article published on January 2015

Computational prediction of immunodominant antigenic regions & potential protective epitopes for dengue vaccination.

scientific article

Computational study on cross-talking cancer signalling mechanism of ring finger protein 146, AXIN and Tankyrase protein complex

scientific article published on 02 December 2019

Current Scenario in Structure and Ligand-Based Drug Design on Anti-colon Cancer Drugs

scientific article published on 01 January 2018

Design, synthesis and characterization of α, β-unsaturated carboxylic acid and its urea based derivatives that explores novel epigenetic modulators in human non-small cell lung cancer A549 cell line.

scientific article

E-Pharmacophore filtering and molecular dynamics simulation studies in the discovery of potent drug-like molecules for Chronic Kidney Disease.

scientific article

E-Pharmacophore mapping and docking studies on Vitamin D receptor (VDR).

scientific article

Exploring the Carbamazepine Interaction with Human Pregnane X Receptor and Effect on ABCC2 Using in Vitro and in Silico Approach.

scientific article

Gender specific association of RAS gene polymorphism with essential hypertension: a case-control study

scientific article

High throughput virtual screening and E-pharmacophore filtering in the discovery of new BACE-1 inhibitors

scientific article published on 6 June 2013

High-affinity selective inhibitor against phospholipase A2 (PLA2): a computational study.

scientific article

Homology modeling, molecular dynamics, e-pharmacophore mapping and docking study of Chikungunya virus nsP2 protease

scientific article published on 29 March 2011

Identification of novel small molecules that bind to the loop2 region of sclerostin - an in silico computational analysis.

scientific article published on 15 July 2016

Identification of potent inhibitors against snake venom metalloproteinase (SVMP) using molecular docking and molecular dynamics studies

scientific article published on 30 September 2014

In silico genome analysis and drug efficacy test of influenza A virus (H1N1) 2009.

scientific article

In silico identification and screening of CYP24A1 inhibitors: 3D QSAR pharmacophore mapping and molecular dynamics analysis

scientific article published on 04 May 2018

In silico insights on Tankyrase protein: a potential target for colorectal cancer

scientific article published on 08 December 2018

In silico studies on marine actinomycetes as potential inhibitors for Glioblastoma multiforme

scientific article

Inhibitory potential of Hydroxychavicol on Ehrlich ascites carcinoma model and in silico interaction on cancer targets

scientific article published on 23 November 2018

Isolation and characterization of bioactive compounds of Clematis gouriana Roxb. ex DC against snake venom phospholipase A2 (PLA2) computational and in vitro insights.

scientific article published on 29 June 2016

Ligand-based pharmacophore modeling; atom-based 3D-QSAR analysis and molecular docking studies of phosphoinositide-dependent kinase-1 inhibitors ⬇️

scientific article published on March 1, 2012

Molecular insights on TNKS1/TNKS2 and inhibitor-IWR1 interactions

scientific article published on February 2014

Molecular modeling, quantum polarized ligand docking and structure-based 3D-QSAR analysis of the imidazole series as dual AT(1) and ET(A) receptor antagonists.

scientific article published on December 2013

Myocilin mutations among POAG patients from two populations of Tamil Nadu, South India, a comparative analysis

scientific article published on 15 December 2011

Overcoming NADPH product inhibition improves D-sorbitol conversion to L-sorbose

scientific article published in Scientific Reports

Pharmacophore modeling, 3D-QSAR and DFT studies of IWR small-molecule inhibitors of Wnt response

scientific article

Plant Isoquinoline Alkaloid Berberine Exhibits Chromatin Remodeling by Modulation of Histone Deacetylase To Induce Growth Arrest and Apoptosis in the A549 Cell Line

scientific article

Sighting of tankyrase inhibitors by structure- and ligand-based screening and in vitro approach

scientific article published on 01 October 2014

Structural insights on Vitamin D receptor and screening of new potent agonist molecules: Structure and ligand-based approach

scientific article published on 28 May 2020

Tannic acid attenuates TGF-β1-induced epithelial-to-mesenchymal transition by effectively intervening TGF-β signaling in lung epithelial cells

scientific article published on 3 August 2017

The Binding Mode Prediction and Similar Ligand Potency in the Active Site of Vitamin D Receptor with QM/MM Interaction, MESP, and MD Simulation

scientific article published on 31 March 2016

Understanding the evolutionary relationship of hemagglutinin protein from influenza viruses using phylogenetic and molecular modeling studies.

scientific article

Vitamin D receptor (VDR) non-synonymous single nucleotide polymorphisms (nsSNPs) affect the calcitriol drug response - A theoretical insight.

scientific article published on 12 February 2018

List of works by Karthikeyan Muthusamy

<i>In Silico</i> Analysis of Drug Repurposing Strategy for the Identification of Potential NS3 Helicase Inhibitors Against Zika Virus

A computational study on role of 6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyoxane-2,4,5-triol in the regulation of blood glucose level.

A theoretical insight to understand the molecular mechanism of dual target ligand CTA-018 in the chronic kidney disease pathogenesis

Antidiabetic, antihyperlipidaemic, and antioxidant activity of Syzygium densiflorum fruits in streptozotocin and nicotinamide-induced diabetic rats.

Atom-based and Pharmacophore-based 3D - QSAR Studies on Vitamin D Receptor (VDR)

Combined sequence and sequence-structure based methods for analyzing FGF23, CYP24A1 and VDR genes

Computational and Pharmacogenomic Insights on Hypertension Treatment: Rational Drug Design and Optimization Strategies

Computational and in vitro insights on snake venom phospholipase A2 inhibitor of phytocompound ikshusterol3-O-glucoside of Clematis gouriana Roxb. ex DC.

Computational insights into the inhibition of influenza viruses by rupestonic acid derivatives: pharmacophore modeling, 3D-QSAR, CoMFA and COMSIA studies

Computational prediction of immunodominant antigenic regions & potential protective epitopes for dengue vaccination.

Computational study on cross-talking cancer signalling mechanism of ring finger protein 146, AXIN and Tankyrase protein complex

Current Scenario in Structure and Ligand-Based Drug Design on Anti-colon Cancer Drugs

Design, synthesis and characterization of α, β-unsaturated carboxylic acid and its urea based derivatives that explores novel epigenetic modulators in human non-small cell lung cancer A549 cell line.

E-Pharmacophore filtering and molecular dynamics simulation studies in the discovery of potent drug-like molecules for Chronic Kidney Disease.

E-Pharmacophore mapping and docking studies on Vitamin D receptor (VDR).

Exploring the Carbamazepine Interaction with Human Pregnane X Receptor and Effect on ABCC2 Using in Vitro and in Silico Approach.

Gender specific association of RAS gene polymorphism with essential hypertension: a case-control study

High throughput virtual screening and E-pharmacophore filtering in the discovery of new BACE-1 inhibitors

High-affinity selective inhibitor against phospholipase A2 (PLA2): a computational study.

Homology modeling, molecular dynamics, e-pharmacophore mapping and docking study of Chikungunya virus nsP2 protease

Identification of novel small molecules that bind to the loop2 region of sclerostin - an in silico computational analysis.

Identification of potent inhibitors against snake venom metalloproteinase (SVMP) using molecular docking and molecular dynamics studies

In silico genome analysis and drug efficacy test of influenza A virus (H1N1) 2009.

In silico identification and screening of CYP24A1 inhibitors: 3D QSAR pharmacophore mapping and molecular dynamics analysis

In silico insights on Tankyrase protein: a potential target for colorectal cancer

In silico studies on marine actinomycetes as potential inhibitors for Glioblastoma multiforme

Inhibitory potential of Hydroxychavicol on Ehrlich ascites carcinoma model and in silico interaction on cancer targets

Isolation and characterization of bioactive compounds of Clematis gouriana Roxb. ex DC against snake venom phospholipase A2 (PLA2) computational and in vitro insights.

Ligand-based pharmacophore modeling; atom-based 3D-QSAR analysis and molecular docking studies of phosphoinositide-dependent kinase-1 inhibitors ⬇️

Molecular insights on TNKS1/TNKS2 and inhibitor-IWR1 interactions

Molecular modeling, quantum polarized ligand docking and structure-based 3D-QSAR analysis of the imidazole series as dual AT(1) and ET(A) receptor antagonists.

Myocilin mutations among POAG patients from two populations of Tamil Nadu, South India, a comparative analysis

Overcoming NADPH product inhibition improves D-sorbitol conversion to L-sorbose

Pharmacophore modeling, 3D-QSAR and DFT studies of IWR small-molecule inhibitors of Wnt response

Plant Isoquinoline Alkaloid Berberine Exhibits Chromatin Remodeling by Modulation of Histone Deacetylase To Induce Growth Arrest and Apoptosis in the A549 Cell Line

Sighting of tankyrase inhibitors by structure- and ligand-based screening and in vitro approach

Structural insights on Vitamin D receptor and screening of new potent agonist molecules: Structure and ligand-based approach

Tannic acid attenuates TGF-β1-induced epithelial-to-mesenchymal transition by effectively intervening TGF-β signaling in lung epithelial cells

The Binding Mode Prediction and Similar Ligand Potency in the Active Site of Vitamin D Receptor with QM/MM Interaction, MESP, and MD Simulation

Understanding the evolutionary relationship of hemagglutinin protein from influenza viruses using phylogenetic and molecular modeling studies.

Vitamin D receptor (VDR) non-synonymous single nucleotide polymorphisms (nsSNPs) affect the calcitriol drug response - A theoretical insight.