List of works - Sugunadevi Sakkiah

A Combination of Receptor-Based Pharmacophore Modeling & QM Techniques for Identification of Human Chymase Inhibitors ⬇️

scientific article published on April 26, 2013

Binding Mode Investigation of Polyphenols fromScrophulariaTargeting Human Aldose Reductase Using Molecular Docking and Molecular Dynamics Simulations

article

Correction to: Similarities and differences between variants called with human reference genome HG19 or HG38

scholarly article published in BMC Bioinformatics

Discovery and evaluation of potential sonic hedgehog signaling pathway inhibitors using pharmacophore modeling and molecular dynamics simulations.

scientific article published on December 2011

Discovery of potent inhibitors for interleukin-2-inducible T-cell kinase: structure-based virtual screening and molecular dynamics simulation approaches.

scientific article

Discovery of potential integrin VLA-4 antagonists using pharmacophore modeling, virtual screening and molecular docking studies

scientific article published on 20 June 2011

Discovery of potential pancreatic cholesterol esterase inhibitors using pharmacophore modelling, virtual screening, and optimization studies

scientific article published on 14 December 2010

Dynamic and multi-pharmacophore modeling for designing polo-box domain inhibitors

scientific article (publication date: 2014)

Exploration of virtual candidates for human HMG-CoA reductase inhibitors using pharmacophore modeling and molecular dynamics simulations

scientific article (publication date: 2013)

FOXC1 Activates Smoothened-Independent Hedgehog Signaling in Basal-like Breast Cancer

scientific article

Finding off-targets, biological pathways, and target diseases for chymase inhibitors via structure-based systems biology approach.

scientific article

Identification of Inhibitor Binding Site in Human Sirtuin 2 Using Molecular Docking and Dynamics Simulations ⬇️

scientific article published on January 28, 2013

Identification of important chemical features of 11β-hydroxysteroid dehydrogenase type1 inhibitors: application of ligand based virtual screening and density functional theory

scientific article

Identification of potent virtual leads to design novel indoleamine 2,3-dioxygenase inhibitors: pharmacophore modeling and molecular docking studies.

scientific article published on 2 June 2010

Insight the C-site pocket conformational changes responsible for sirtuin 2 activity using molecular dynamics simulations.

scientific article

Ligand and structure based pharmacophore modeling to facilitate novel histone deacetylase 8 inhibitor design

scientific article published on 23 June 2010

Ligand-based pharmacophore modeling and Bayesian approaches to identify c-Src inhibitors.

scientific article published on 25 February 2013

Ligand-based virtual screening and molecular docking studies to identify the critical chemical features of potent cathepsin D inhibitors.

scientific article published on 14 May 2012

Molecular Modeling Study for Inhibition Mechanism of Human Chymase and Its Application in Inhibitor Design ⬇️

scientific article published on April 25, 2013

Molecular docking and dynamics simulation, receptor-based hypothesis: application to identify novel sirtuin 2 inhibitors

scientific article published on 21 June 2012

Molecular docking and pharmacophore filtering in the discovery of dual-inhibitors for human leukotriene A4 hydrolase and leukotriene C4 synthase

scientific article published on 06 December 2010

Molecular modeling study for conformational changes of Sirtuin 2 due to substrate and inhibitor binding.

scientific article published on 12 June 2012

Molecular modeling study on orphan human protein CYP4A22 for identification of potential ligand binding site.

scientific article published on 4 December 2009

Pharmacophore based virtual screening, molecular docking studies to design potent heat shock protein 90 inhibitors ⬇️

scientific article published on April 15, 2011

Pharmacophore design, virtual screening, molecular docking and optimization approaches to discover potent thrombin inhibitors

scientific article published in November 2013

Pharmacophore modeling, molecular docking, and molecular dynamics simulation approaches for identifying new lead compounds for inhibiting aldose reductase 2.

scientific article published on 18 January 2012

Pharmacophore-based virtual screening and Bayesian model for the identification of potential human leukotriene A4 hydrolase inhibitors.

scientific article published on 5 March 2011

Pharmacophore-based virtual screening and density functional theory approach to identifying novel butyrylcholinesterase inhibitors.

scientific article

Potent BACE-1 inhibitor design using pharmacophore modeling, in silico screening and molecular docking studies

scientific article

Potential virtual lead identification in the discovery of renin inhibitors: application of ligand and structure-based pharmacophore modeling approaches.

scientific article

List of works by Sugunadevi Sakkiah

A Combination of Receptor-Based Pharmacophore Modeling &amp; QM Techniques for Identification of Human Chymase Inhibitors ⬇️

Binding Mode Investigation of Polyphenols fromScrophulariaTargeting Human Aldose Reductase Using Molecular Docking and Molecular Dynamics Simulations

Correction to: Similarities and differences between variants called with human reference genome HG19 or HG38

Discovery and evaluation of potential sonic hedgehog signaling pathway inhibitors using pharmacophore modeling and molecular dynamics simulations.

Discovery of potent inhibitors for interleukin-2-inducible T-cell kinase: structure-based virtual screening and molecular dynamics simulation approaches.

Discovery of potential integrin VLA-4 antagonists using pharmacophore modeling, virtual screening and molecular docking studies

Discovery of potential pancreatic cholesterol esterase inhibitors using pharmacophore modelling, virtual screening, and optimization studies

Dynamic and multi-pharmacophore modeling for designing polo-box domain inhibitors

Exploration of virtual candidates for human HMG-CoA reductase inhibitors using pharmacophore modeling and molecular dynamics simulations

FOXC1 Activates Smoothened-Independent Hedgehog Signaling in Basal-like Breast Cancer

Finding off-targets, biological pathways, and target diseases for chymase inhibitors via structure-based systems biology approach.

Identification of Inhibitor Binding Site in Human Sirtuin 2 Using Molecular Docking and Dynamics Simulations ⬇️

Identification of important chemical features of 11β-hydroxysteroid dehydrogenase type1 inhibitors: application of ligand based virtual screening and density functional theory

Identification of potent virtual leads to design novel indoleamine 2,3-dioxygenase inhibitors: pharmacophore modeling and molecular docking studies.

Insight the C-site pocket conformational changes responsible for sirtuin 2 activity using molecular dynamics simulations.

Ligand and structure based pharmacophore modeling to facilitate novel histone deacetylase 8 inhibitor design

Ligand-based pharmacophore modeling and Bayesian approaches to identify c-Src inhibitors.

Ligand-based virtual screening and molecular docking studies to identify the critical chemical features of potent cathepsin D inhibitors.

Molecular Modeling Study for Inhibition Mechanism of Human Chymase and Its Application in Inhibitor Design ⬇️

Molecular docking and dynamics simulation, receptor-based hypothesis: application to identify novel sirtuin 2 inhibitors

Molecular docking and pharmacophore filtering in the discovery of dual-inhibitors for human leukotriene A4 hydrolase and leukotriene C4 synthase

Molecular modeling study for conformational changes of Sirtuin 2 due to substrate and inhibitor binding.

Molecular modeling study on orphan human protein CYP4A22 for identification of potential ligand binding site.

Pharmacophore based virtual screening, molecular docking studies to design potent heat shock protein 90 inhibitors ⬇️

Pharmacophore design, virtual screening, molecular docking and optimization approaches to discover potent thrombin inhibitors

Pharmacophore modeling, molecular docking, and molecular dynamics simulation approaches for identifying new lead compounds for inhibiting aldose reductase 2.

Pharmacophore-based virtual screening and Bayesian model for the identification of potential human leukotriene A4 hydrolase inhibitors.

Pharmacophore-based virtual screening and density functional theory approach to identifying novel butyrylcholinesterase inhibitors.

Potent BACE-1 inhibitor design using pharmacophore modeling, in silico screening and molecular docking studies

Potential virtual lead identification in the discovery of renin inhibitors: application of ligand and structure-based pharmacophore modeling approaches.

Similarities and differences between variants called with human reference genome HG19 or HG38

A Combination of Receptor-Based Pharmacophore Modeling & QM Techniques for Identification of Human Chymase Inhibitors ⬇️