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Exploring the effect of inhibitor AKB‐9778 on VE‐PTP by molecular docking and molecular dynamics simulation

Journal of cellular biochemistry, 2019-10, Vol.120 (10), p.17015-17029

2019

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Design novel dual agonists for treating type-2 diabetes by targeting peroxisome proliferator-activated receptors with core hopping approach

PloS one, 2012-06, Vol.7 (6), p.e38546

2012

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Novel inhibitor design for hemagglutinin against H1N1 influenza virus by core hopping method

PloS one, 2011-11, Vol.6 (11), p.e28111-e28111

2011

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Exploring the effect of E76K mutation on SHP2 cause gain‐of‐function activity by a molecular dynamics study

Journal of cellular biochemistry, 2018-12, Vol.119 (12), p.9941-9956

2018

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Multitargeted bioactive ligands for PPARs discovered in the last decade

Chemical biology & drug design, 2016-11, Vol.88 (5), p.635-663

2016

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Tuning the reaction rates of fluoride probes for detection in aqueous solution

RSC advances, 2016-01, Vol.6 (30), p.25242-25245

2016

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Synthesis and biological evaluation of novel N‐aryl‐ω‐(benzoazol‐2‐yl)‐sulfanylalkanamides as dual inhibitors of α‐glucosidase and protein tyrosine phosphatase 1B

Chemical biology & drug design, 2018-09, Vol.92 (3), p.1647-1656

2018

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Bridging Chiral Calix[4]arenes: Description, Optical Resolution, and Absolute Configuration Determination

European journal of organic chemistry, 2016-02, Vol.2016 (5), p.1012-1016

2016

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Scaffold-based pan-agonist design for the PPARα, PPARβ and PPARγ receptors

PloS one, 2012-10, Vol.7 (10), p.e48453-e48453

2012

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The Discovery of a Novel and Selective Inhibitor of PTP1B Over TCPTP: 3D QSAR Pharmacophore Modeling, Virtual Screening, Synthesis, and Biological Evaluation

Chemical biology & drug design, 2014-06, Vol.83 (6), p.697-709

2014

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Probing the acting mode and advantages of RMC-4550 as an Src-homology 2 domain-containing protein tyrosine phosphatase (SHP2) inhibitor at molecular level through molecular docking and molecular dynamics

Journal of biomolecular structure & dynamics, 2020-03, Vol.38 (5), p.1525-1538

2020

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Design and Synthesis of Imidazolidine-2,4-Dione Derivatives as Selective Inhibitors by Targeting Protein Tyrosine Phosphatase-1B Over T-Cell Protein Tyrosine Phosphatase

Chemical biology & drug design, 2013-11, Vol.82 (5), p.595-602

2013

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Design, synthesis, biological evaluation and molecular dynamics simulation studies of imidazolidine-2,4-dione derivatives as novel PTP1B inhibitors

Biochemical and biophysical research communications, 2021-11, Vol.579, p.40-46

2021

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Design, synthesis, biological activity and molecular dynamics studies of specific protein tyrosine phosphatase 1B inhibitors over SHP-2

International journal of molecular sciences, 2013-06, Vol.14 (6), p.12661-12674

2013

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3D QSAR Pharmacophore Based Virtual Screening for Identification of Potential Inhibitors for CDC25B

Computational biology and chemistry, 2018-04, Vol.73, p.1-12

2018

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Exploring the mechanism of C473D mutation on CDC25B causing weak binding affinity with CDK2/CyclinA by molecular dynamics study

Journal of biomolecular structure & dynamics, 2023-12, Vol.41 (22), p.12552-12564

2023

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Design potential selective inhibitors for treating cancer by targeting the Src homology 2 (SH2) domain-containing phosphatase 2 (Shp2) with core hopping approach

Protein and peptide letters, 2014-06, Vol.21 (6), p.556-563

2014

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Synthesis, biological evaluation and 3D-QSAR studies of 1,2,4-triazole-5-substituted carboxylic acid bioisosteres as uric acid transporter 1 (URAT1) inhibitors for the treatment of hyperuricemia associated with gout

Bioorganic & medicinal chemistry letters, 2019-02, Vol.29 (3), p.383-388

2019

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CoMFA/CoMSIA and Molecular Docking Studies of Novel Matrix Metalloproteinase- 2 Inhibitors Based on L-tyrosine Scaffold

Letters in drug design & discovery, 2016-06, Vol.13 (5), p.376-386

2016

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Structure-based discovery of a specific SHP2 inhibitor with enhanced blood–brain barrier penetration from PubChem database

Bioorganic chemistry, 2022-04, Vol.121, p.105648-105648, Article 105648

2022

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Design, synthesis and biological evaluation of pyridine derivatives as selective SHP2 inhibitors

Bioorganic chemistry, 2020-07, Vol.100, p.103875, Article 103875

2020

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Identification of the potential dual inhibitor of protein tyrosine phosphatase sigma and leukocyte common antigen-related phosphatase by virtual screen, molecular dynamic simulations and post-analysis

Journal of biomolecular structure & dynamics, 2021-01, Vol.39 (1), p.45-62

2021

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Design novel inhibitors for treating cancer by targeting Cdc25B catalytic domain with de novo design

Combinatorial chemistry & high throughput screening, 2014-01, Vol.17 (10), p.837-847

2014

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Docking and molecular dynamics simulations of peroxisome proliferator activated receptors interacting with pan agonist sodelglitazar

Protein and peptide letters, 2011-10, Vol.18 (10), p.1021-1027

2011

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Scaffold-based novel SHP2 allosteric inhibitors design using Receptor-Ligand pharmacophore model, virtual screening and molecular dynamics

Computational biology and chemistry, 2018-04, Vol.73, p.179-188

2018

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Exploring the effect of inhibitor AKB‐9778 on VE‐PTP by molecular docking and molecular dynamics simulation

Design novel dual agonists for treating type-2 diabetes by targeting peroxisome proliferator-activated receptors with core hopping approach

Novel inhibitor design for hemagglutinin against H1N1 influenza virus by core hopping method

Exploring the effect of E76K mutation on SHP2 cause gain‐of‐function activity by a molecular dynamics study

Multitargeted bioactive ligands for PPARs discovered in the last decade

Tuning the reaction rates of fluoride probes for detection in aqueous solution

Synthesis and biological evaluation of novel N‐aryl‐ω‐(benzoazol‐2‐yl)‐sulfanylalkanamides as dual inhibitors of α‐glucosidase and protein tyrosine phosphatase 1B

Bridging Chiral Calix[4]arenes: Description, Optical Resolution, and Absolute Configuration Determination

Scaffold-based pan-agonist design for the PPARα, PPARβ and PPARγ receptors

The Discovery of a Novel and Selective Inhibitor of PTP1B Over TCPTP: 3D QSAR Pharmacophore Modeling, Virtual Screening, Synthesis, and Biological Evaluation

Probing the acting mode and advantages of RMC-4550 as an Src-homology 2 domain-containing protein tyrosine phosphatase (SHP2) inhibitor at molecular level through molecular docking and molecular dynamics

Design and Synthesis of Imidazolidine-2,4-Dione Derivatives as Selective Inhibitors by Targeting Protein Tyrosine Phosphatase-1B Over T-Cell Protein Tyrosine Phosphatase

Design, synthesis, biological evaluation and molecular dynamics simulation studies of imidazolidine-2,4-dione derivatives as novel PTP1B inhibitors

Design, synthesis, biological activity and molecular dynamics studies of specific protein tyrosine phosphatase 1B inhibitors over SHP-2

3D QSAR Pharmacophore Based Virtual Screening for Identification of Potential Inhibitors for CDC25B

Exploring the mechanism of C473D mutation on CDC25B causing weak binding affinity with CDK2/CyclinA by molecular dynamics study

Design potential selective inhibitors for treating cancer by targeting the Src homology 2 (SH2) domain-containing phosphatase 2 (Shp2) with core hopping approach

Synthesis, biological evaluation and 3D-QSAR studies of 1,2,4-triazole-5-substituted carboxylic acid bioisosteres as uric acid transporter 1 (URAT1) inhibitors for the treatment of hyperuricemia associated with gout

CoMFA/CoMSIA and Molecular Docking Studies of Novel Matrix Metalloproteinase- 2 Inhibitors Based on L-tyrosine Scaffold

Structure-based discovery of a specific SHP2 inhibitor with enhanced blood–brain barrier penetration from PubChem database

Design, synthesis and biological evaluation of pyridine derivatives as selective SHP2 inhibitors

Identification of the potential dual inhibitor of protein tyrosine phosphatase sigma and leukocyte common antigen-related phosphatase by virtual screen, molecular dynamic simulations and post-analysis

Design novel inhibitors for treating cancer by targeting Cdc25B catalytic domain with de novo design

Docking and molecular dynamics simulations of peroxisome proliferator activated receptors interacting with pan agonist sodelglitazar

Scaffold-based novel SHP2 allosteric inhibitors design using Receptor-Ligand pharmacophore model, virtual screening and molecular dynamics

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