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2D Pharmacophore Query Generation

Bioinformatics Research and Applications, p.289-300

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3,5-Disubstituted thiadiazine-2-thiones: New cell-cycle inhibitors

Archives of Pharmacal Research, 2012, 35(1), , pp.35-49

2012

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3D Pharmacophore-Based Discovery of Novel KV10.1 Inhibitors with Antiproliferative Activity

Cancers, 2021-03, Vol.13 (6), p.1244

2021

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3D Pharmacophore-based Ligand Alignment, Virtual Screening and Molecular Docking Protocols Towards the Discovery of 2-((1H-1,2,4-triazol-1- yl)methyl) Derivatives as Antifungal Inhibitors

Current bioactive compounds, 2020, Vol.16 (4), p.498-513

2020

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3D-pharmacophore model based virtual screening to identify dual-binding site and selective acetylcholinesterase inhibitors

Medicinal chemistry research, 2011-12, Vol.20 (9), p.1422-1430

2011

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A 3D-pharmacophore model for σ 2 receptors based on a series of substituted benzo[d]oxazol-2(3 H)-one derivatives

Bioorganic & medicinal chemistry letters, 2010, Vol.20 (9), p.2954-2957

2010

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A 3D-pharmacophore model for σ2 receptors based on a series of substituted benzo[d]oxazol-2(3H)-one derivatives

Bioorganic & medicinal chemistry letters, 2010-05, Vol.20 (9), p.2954-2957

2010

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3D Pharmacophore Modeling Techniques in Computer‐Aided Molecular Design Using LigandScout

Tutorials in Chemoinformatics, 2017, p.279-309

2017

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3D-PHARMACOPHORE MODELLING OF OMEGA-3 DERIVATIVES WITH PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA AS AN ANTI-OBESITY AGENT

International journal of applied pharmaceutics, 2021-12, p.167-170

2021

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3D-QSAR analysis of TRPV1 inhibitors reveals a pharmacophore applicable to diverse scaffolds and clinical candidates

Journal of molecular graphics & modelling, 2013-09, Vol.45, p.157-172

2013

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3D QSAR and molecular docking studies of 4-alkoxy- and 4-acyloxy –phenyl ethylene thiosemicarbazone derivatives as tyrosinase inhibitors

Medicinal chemistry research, 2017-12, Vol.26 (12), p.3125-3135

2017

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3D-QSAR and Pharmacophore modeling of 3,5-disubstituted indole derivatives as Pim kinase inhibitors

Structural chemistry, 2020-10, Vol.31 (5), p.1675-1690

2020

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3D QSAR and Pharmacophore Modelling of some Pyrimidine Analogs as CDK4 Inhibitors

Asian Journal of Research in Chemistry, 2015-04, Vol.8 (4), p.231

2015

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The 3D-QSAR and pharmacophore studies of pyrimidine derivatives as HCV replication (replicase) inhibitor

Medicinal chemistry research, 2015-05, Vol.24 (5), p.2033-2042

2015

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3D-QSAR and virtual screening studies of thiazolidine-2,4-dione analogs: Validation of experimental inhibitory potencies towards PIM-1 kinase

Journal of molecular structure, 2017-04, Vol.1133, p.278-293

2017

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3D-QSAR-based pharmacophore modelling of quinazoline derivatives for the identification of acetylcholinesterase inhibitors through virtual screening, molecular docking, molecular dynamics and DFT studies

Journal of biomolecular structure & dynamics, 2024-02, p.1-15

2024

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3D QSAR, docking studies, and pharmacophore modeling of selected factor Xa inhibitors

Medicinal chemistry research, 2012-07, Vol.21 (7), p.1427-1432

2012

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3D QSAR, pharmacophore and molecular docking studies of known inhibitors and designing of novel inhibitors for M18 aspartyl aminopeptidase of Plasmodium falciparum

BMC structural biology, 2016-08, Vol.16 (1), p.12-12, Article 12

2016

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3D QSAR pharmacophore-based virtual screening and molecular docking studies for the discovery of potential PDK1 inhibitors

Medicinal chemistry research, 2013-07, Vol.22 (7), p.3416-3427

2013

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3D-QSAR pharmacophore modeling and in silico screening of new Bcl-xl inhibitors

European journal of medicinal chemistry, 2010-11, Vol.45 (11), p.4774-4782

2010

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3D-QSAR pharmacophore modeling and in silico screening of phospholipase A2α inhibitors

Medicinal chemistry research, 2013-07, Vol.22 (7), p.3096-3108

2013

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3D QSAR Pharmacophore Modeling for c-Met Kinase Inhibitors

Medicinal chemistry (Shp-sariqah, United Arab Emirates), 2012-11, Vol.8 (6), p.1117-1125

2012

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3D-QSAR studies on UDP-glucuronosyltransferase 2B7 substrates using the pharmacophore and VolSurf approaches

Xenobiotica, 2012-09, Vol.42 (9), p.891-900

2012

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3D-QSAR using pharmacophore-based alignment and virtual screening for discovery of novel MCF-7 cell line inhibitors

European journal of medicinal chemistry, 2013-09, Vol.67, p.344-351

2013

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4-(4-Chlorophenyl)thiazol-2-amines as pioneers of potential neurodegenerative therapeutics with anti-inflammatory properties based on dual DNase I and 5-LO inhibition

Bioorganic chemistry, 2020-01, Vol.95, p.103528, Article 103528

2020

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2D Pharmacophore Query Generation

3,5-Disubstituted thiadiazine-2-thiones: New cell-cycle inhibitors

3D Pharmacophore-Based Discovery of Novel KV10.1 Inhibitors with Antiproliferative Activity

3D Pharmacophore-based Ligand Alignment, Virtual Screening and Molecular Docking Protocols Towards the Discovery of 2-((1H-1,2,4-triazol-1- yl)methyl) Derivatives as Antifungal Inhibitors

3D-pharmacophore model based virtual screening to identify dual-binding site and selective acetylcholinesterase inhibitors

A 3D-pharmacophore model for σ 2 receptors based on a series of substituted benzo[d]oxazol-2(3 H)-one derivatives

A 3D-pharmacophore model for σ2 receptors based on a series of substituted benzo[d]oxazol-2(3H)-one derivatives

3D Pharmacophore Modeling Techniques in Computer‐Aided Molecular Design Using LigandScout

3D-PHARMACOPHORE MODELLING OF OMEGA-3 DERIVATIVES WITH PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA AS AN ANTI-OBESITY AGENT

3D-QSAR analysis of TRPV1 inhibitors reveals a pharmacophore applicable to diverse scaffolds and clinical candidates

3D QSAR and molecular docking studies of 4-alkoxy- and 4-acyloxy –phenyl ethylene thiosemicarbazone derivatives as tyrosinase inhibitors

3D-QSAR and Pharmacophore modeling of 3,5-disubstituted indole derivatives as Pim kinase inhibitors

3D QSAR and Pharmacophore Modelling of some Pyrimidine Analogs as CDK4 Inhibitors

The 3D-QSAR and pharmacophore studies of pyrimidine derivatives as HCV replication (replicase) inhibitor

3D-QSAR and virtual screening studies of thiazolidine-2,4-dione analogs: Validation of experimental inhibitory potencies towards PIM-1 kinase

3D-QSAR-based pharmacophore modelling of quinazoline derivatives for the identification of acetylcholinesterase inhibitors through virtual screening, molecular docking, molecular dynamics and DFT studies

3D QSAR, docking studies, and pharmacophore modeling of selected factor Xa inhibitors

3D QSAR, pharmacophore and molecular docking studies of known inhibitors and designing of novel inhibitors for M18 aspartyl aminopeptidase of Plasmodium falciparum

3D QSAR pharmacophore-based virtual screening and molecular docking studies for the discovery of potential PDK1 inhibitors

3D-QSAR pharmacophore modeling and in silico screening of new Bcl-xl inhibitors

3D-QSAR pharmacophore modeling and in silico screening of phospholipase A2α inhibitors

3D QSAR Pharmacophore Modeling for c-Met Kinase Inhibitors

3D-QSAR studies on UDP-glucuronosyltransferase 2B7 substrates using the pharmacophore and VolSurf approaches

3D-QSAR using pharmacophore-based alignment and virtual screening for discovery of novel MCF-7 cell line inhibitors

4-(4-Chlorophenyl)thiazol-2-amines as pioneers of potential neurodegenerative therapeutics with anti-inflammatory properties based on dual DNase I and 5-LO inhibition

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