List of works - C Gopi Mohan

3D-QSAR CoMFA analysis of C5 substituted pyrrolotriazines as HER2 (ErbB2) inhibitors

scientific article published on 4 December 2007

A phytochemical-based medication search for the SARS-CoV-2 infection by molecular docking models towards spike glycoproteins and main proteases

scientific article published on 24 March 2021

Antiobesity and lipid lowering effects of Glycyrrhiza chalcones: experimental and computational studies.

scientific article published on 18 February 2011

Bacterial peptidoglycan with amidated meso-diaminopimelic acid evades NOD1 recognition: an insight into NOD1 structure-recognition.

scientific article published on 14 October 2016

Comparative molecular field analysis and comparative molecular similarity indices analysis of hydroxyethylamine derivatives as selective human BACE-1 inhibitor

scientific article

Computer-assisted methods in chemical toxicity prediction.

scientific article published on May 2007

Crystal structure of protoporphyrinogen oxidase from Myxococcus xanthus and its complex with the inhibitor acifluorfen

scientific article published on 17 October 2006

Discovery of dual binding site acetylcholinesterase inhibitors identified by pharmacophore modeling and sequential virtual screening techniques

scientific article published in January 2011

Dual binding site and selective acetylcholinesterase inhibitors derived from integrated pharmacophore models and sequential virtual screening

scientific article

Epidermal growth factor receptor (EGFR) structure-based bioactive pharmacophore models for identifying next-generation inhibitors against clinically relevant EGFR mutations

scientific article published on 17 March 2017

First pharmacophore model of CCR3 receptor antagonists and its homology model-assisted, stepwise virtual screening.

scientific article

Homology modeling and atomic level binding study of Leishmania MAPK with inhibitors

scientific article

Homology modeling, molecular dynamics and inhibitor binding study on MurD ligase of Mycobacterium tuberculosis.

scientific article published in September 2012

Identification of hotspot regions of MurB oxidoreductase enzyme using homology modeling, molecular dynamics and molecular docking techniques

scientific article published on 9 July 2010

Impact of computational structure-based predictive toxicology in drug discovery.

scientific article published on June 2011

Inhibition of acetylcholinesterase by coumarins: the case of coumarin 106.

scientific article

Integration of in silico modeling, prediction by binding energy and experimental approach to study the amorphous chitin nanocarriers for cancer drug delivery

scientific article published on 29 January 2016

Ligand-based molecular design of 4-benzylpiperidinealkylureas and amides as CCR3 antagonists

scientific article published on 4 December 2009

Mitogen-activated protein kinase 4 of Leishmania parasite as a therapeutic target.

scientific article

Molecular Docking Guided Comparative GFA, G/PLS, SVM and ANN Models of Structurally Diverse Dual Binding Site Acetylcholinesterase Inhibitors.

scientific article published on 4 August 2011

Molecular defect of 'Prothrombin Amrita': substitution of arginine by glutamine (Arg553 to Gln) near the Na(+) binding loop of prothrombin

scientific article published on 21 December 2012

Molecular docking guided 3D-QSAR CoMFA analysis of N-4-Pyrimidinyl-1H-indazol-4-amine inhibitors of leukocyte-specific protein tyrosine kinase

scientific article

Molecular modelling and QSAR analysis of some structurally diverse N-type calcium channel blockers

scientific article

Multiple e-Pharmacophore modeling to identify a single molecule that could target both streptomycin and paromomycin binding sites for 30S ribosomal subunit inhibition.

scientific article published on 10 April 2018

Novel anti-inflammatory agents based on pyrazole based dimeric compounds; design, synthesis, docking and in vivo activity

scientific article published on May 2010

Predictive models for designing potent tyrosine kinase inhibitors in chronic myeloid leukemia for understanding its molecular mechanism of resistance by molecular docking and dynamics simulations

scientific article published on 22 February 2019

Synthesis, biological evaluation and molecular docking studies of stellatin derivatives as cyclooxygenase (COX-1, COX-2) inhibitors and anti-inflammatory agents

scientific article published on 02 February 2011

Synthesis, biological evaluation and molecular modeling study of pyrazole derivatives as selective COX-2 inhibitors and anti-inflammatory agents

scientific article published on 16 May 2014

The crystal structure of eosinophil cationic protein in complex with 2',5'-ADP at 2.0 A resolution reveals the details of the ribonucleolytic active site

scientific article

The exploration of thienothiazines as selective butyrylcholinesterase inhibitors ⬇️

scientific article published on June 6, 2012

Understanding the Structure-Function Relationship of Lysozyme Resistance in Staphylococcus aureus by Peptidoglycan O-Acetylation Using Molecular Docking, Dynamics, and Lysis Assay

scientific article published on 16 March 2015

Uridine monophosphate kinase as potential target for tuberculosis: from target to lead identification

scientific article

List of works by C Gopi Mohan

3D-QSAR CoMFA analysis of C5 substituted pyrrolotriazines as HER2 (ErbB2) inhibitors

A phytochemical-based medication search for the SARS-CoV-2 infection by molecular docking models towards spike glycoproteins and main proteases

Antiobesity and lipid lowering effects of Glycyrrhiza chalcones: experimental and computational studies.

Bacterial peptidoglycan with amidated meso-diaminopimelic acid evades NOD1 recognition: an insight into NOD1 structure-recognition.

Comparative molecular field analysis and comparative molecular similarity indices analysis of hydroxyethylamine derivatives as selective human BACE-1 inhibitor

Computer-assisted methods in chemical toxicity prediction.

Crystal structure of protoporphyrinogen oxidase from Myxococcus xanthus and its complex with the inhibitor acifluorfen

Discovery of dual binding site acetylcholinesterase inhibitors identified by pharmacophore modeling and sequential virtual screening techniques

Dual binding site and selective acetylcholinesterase inhibitors derived from integrated pharmacophore models and sequential virtual screening

Epidermal growth factor receptor (EGFR) structure-based bioactive pharmacophore models for identifying next-generation inhibitors against clinically relevant EGFR mutations

First pharmacophore model of CCR3 receptor antagonists and its homology model-assisted, stepwise virtual screening.

Homology modeling and atomic level binding study of Leishmania MAPK with inhibitors

Homology modeling, molecular dynamics and inhibitor binding study on MurD ligase of Mycobacterium tuberculosis.

Identification of hotspot regions of MurB oxidoreductase enzyme using homology modeling, molecular dynamics and molecular docking techniques

Impact of computational structure-based predictive toxicology in drug discovery.

Inhibition of acetylcholinesterase by coumarins: the case of coumarin 106.

Integration of in silico modeling, prediction by binding energy and experimental approach to study the amorphous chitin nanocarriers for cancer drug delivery

Ligand-based molecular design of 4-benzylpiperidinealkylureas and amides as CCR3 antagonists

Mitogen-activated protein kinase 4 of Leishmania parasite as a therapeutic target.

Molecular Docking Guided Comparative GFA, G/PLS, SVM and ANN Models of Structurally Diverse Dual Binding Site Acetylcholinesterase Inhibitors.

Molecular defect of 'Prothrombin Amrita': substitution of arginine by glutamine (Arg553 to Gln) near the Na(+) binding loop of prothrombin

Molecular docking guided 3D-QSAR CoMFA analysis of N-4-Pyrimidinyl-1H-indazol-4-amine inhibitors of leukocyte-specific protein tyrosine kinase

Molecular modelling and QSAR analysis of some structurally diverse N-type calcium channel blockers

Multiple e-Pharmacophore modeling to identify a single molecule that could target both streptomycin and paromomycin binding sites for 30S ribosomal subunit inhibition.

Novel anti-inflammatory agents based on pyrazole based dimeric compounds; design, synthesis, docking and in vivo activity

Predictive models for designing potent tyrosine kinase inhibitors in chronic myeloid leukemia for understanding its molecular mechanism of resistance by molecular docking and dynamics simulations

Synthesis, biological evaluation and molecular docking studies of stellatin derivatives as cyclooxygenase (COX-1, COX-2) inhibitors and anti-inflammatory agents

Synthesis, biological evaluation and molecular modeling study of pyrazole derivatives as selective COX-2 inhibitors and anti-inflammatory agents

The crystal structure of eosinophil cationic protein in complex with 2',5'-ADP at 2.0 A resolution reveals the details of the ribonucleolytic active site

The exploration of thienothiazines as selective butyrylcholinesterase inhibitors ⬇️

Understanding the Structure-Function Relationship of Lysozyme Resistance in Staphylococcus aureus by Peptidoglycan O-Acetylation Using Molecular Docking, Dynamics, and Lysis Assay

Uridine monophosphate kinase as potential target for tuberculosis: from target to lead identification