about
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 siteInhibition of acetylcholinesterase by coumarins: the case of coumarin 106.First pharmacophore model of CCR3 receptor antagonists and its homology model-assisted, stepwise virtual screening.Dual binding site and selective acetylcholinesterase inhibitors derived from integrated pharmacophore models and sequential virtual screening.Computer-assisted methods in chemical toxicity prediction.Impact of computational structure-based predictive toxicology in drug discovery.Understanding the Structure-Function Relationship of Lysozyme Resistance in Staphylococcus aureus by Peptidoglycan O-Acetylation Using Molecular Docking, Dynamics, and Lysis Assay.Integration of in silico modeling, prediction by binding energy and experimental approach to study the amorphous chitin nanocarriers for cancer drug delivery.Uridine monophosphate kinase as potential target for tuberculosis: from target to lead identification.Bacterial peptidoglycan with amidated meso-diaminopimelic acid evades NOD1 recognition: an insight into NOD1 structure-recognition.Molecular Docking Guided Comparative GFA, G/PLS, SVM and ANN Models of Structurally Diverse Dual Binding Site Acetylcholinesterase Inhibitors.Homology modeling and atomic level binding study of Leishmania MAPK with inhibitors.Molecular docking guided 3D-QSAR CoMFA analysis of N-4-Pyrimidinyl-1H-indazol-4-amine inhibitors of leukocyte-specific protein tyrosine kinase.Novel anti-inflammatory agents based on pyrazole based dimeric compounds; design, synthesis, docking and in vivo activity.Crystal structure of protoporphyrinogen oxidase from Myxococcus xanthus and its complex with the inhibitor acifluorfen.Ligand-based molecular design of 4-benzylpiperidinealkylureas and amides as CCR3 antagonists.Discovery of dual binding site acetylcholinesterase inhibitors identified by pharmacophore modeling and sequential virtual screening techniques.Molecular modelling and QSAR analysis of some structurally diverse N-type calcium channel blockers.Identification of hotspot regions of MurB oxidoreductase enzyme using homology modeling, molecular dynamics and molecular docking techniques.Molecular defect of 'Prothrombin Amrita': substitution of arginine by glutamine (Arg553 to Gln) near the Na(+) binding loop of prothrombin.Comparative molecular field analysis and comparative molecular similarity indices analysis of hydroxyethylamine derivatives as selective human BACE-1 inhibitor.3D-QSAR CoMFA analysis of C5 substituted pyrrolotriazines as HER2 (ErbB2) inhibitors.Epidermal growth factor receptor (EGFR) structure-based bioactive pharmacophore models for identifying next-generation inhibitors against clinically relevant EGFR mutations.Multiple e-Pharmacophore modeling to identify a single molecule that could target both streptomycin and paromomycin binding sites for 30S ribosomal subunit inhibition.Homology modeling, molecular dynamics and inhibitor binding study on MurD ligase of Mycobacterium tuberculosis.Mitogen-activated protein kinase 4 of Leishmania parasite as a therapeutic target.Antiobesity and lipid lowering effects of Glycyrrhiza chalcones: experimental and computational studies.Synthesis, biological evaluation and molecular docking studies of stellatin derivatives as cyclooxygenase (COX-1, COX-2) inhibitors and anti-inflammatory agentsSynthesis, biological evaluation and molecular modeling study of pyrazole derivatives as selective COX-2 inhibitors and anti-inflammatory agentsPredictive models for designing potent tyrosine kinase inhibitors in chronic myeloid leukemia for understanding its molecular mechanism of resistance by molecular docking and dynamics simulations
P50
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P50
description
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
C Gopi Mohan
@ast
C Gopi Mohan
@en
C Gopi Mohan
@es
C Gopi Mohan
@sl
type
label
C Gopi Mohan
@ast
C Gopi Mohan
@en
C Gopi Mohan
@es
C Gopi Mohan
@sl
prefLabel
C Gopi Mohan
@ast
C Gopi Mohan
@en
C Gopi Mohan
@es
C Gopi Mohan
@sl
P106
P31
P496
0000-0003-2056-7189