Understanding PPAR-δ affinity and selectivity using hologram quantitative structure–activity modeling, molecular docking and GRID calculations

The Discovery of Novel Histone Lysine Methyltransferase G9a Inhibitors (Part 1): Molecular Design Based on a Series of Substituted 2,4-Diamino-7- aminoalkoxyquinazoline by Molecular-Docking-Guided 3D Quantitative Structure-Activity Relationship Studies

Medicinal Chemistry ◽

10.2174/15734064113096660068 ◽

2014 ◽

Vol 10 (4) ◽

pp. 426-440 ◽

Cited By ~ 3

Author(s):

Taotao Feng ◽

Hai Wang ◽

Xiaojin Zhang ◽

Haopeng Sun ◽

Qidong You

Keyword(s):

Molecular Docking ◽

Molecular Design ◽

Activity Relationship ◽

Quantitative Structure ◽

Structure Activity ◽

Histone Lysine ◽

Histone Lysine Methyltransferase ◽

Lysine Methyltransferase

Quantitative structure-activity relationship and molecular docking studies of some series of imidazole derivatives as anti-hepatitis C drug

Bayero Journal of Pure and Applied Sciences ◽

10.4314/bajopas.v11i2.8 ◽

2019 ◽

Vol 11 (2) ◽

pp. 57

Author(s):

A.S. Bello ◽

A Uzairu ◽

G.A. Shallangwa ◽

A Ibrahim ◽

Y.A. Gatugel

Keyword(s):

Molecular Docking ◽

Hepatitis C ◽

Docking Studies ◽

Activity Relationship ◽

Quantitative Structure ◽

Molecular Docking Studies ◽

Imidazole Derivatives ◽

Novel Pyrazole-4-acetohydrazide Derivatives Potentially Targeting Fungal Succinate Dehydrogenase: Design, Synthesis, Three-Dimensional Quantitative Structure–Activity Relationship, and Molecular Docking

Journal of Agricultural and Food Chemistry ◽

10.1021/acs.jafc.1c03399 ◽

2021 ◽

Author(s):

Xiaobin Wang ◽

Mengqi Wang ◽

Ling Han ◽

Fei Jin ◽

Jian Jiao ◽

...

Keyword(s):

Molecular Docking ◽

Succinate Dehydrogenase ◽

Three Dimensional ◽

Activity Relationship ◽

Quantitative Structure ◽

Design Synthesis ◽

Quantitative Structure–Activity Relationship Model, Molecular Docking Simulation and Computational Design of Some Novel Compounds Against DNA Gyrase Receptor

Chemistry Africa ◽

10.1007/s42250-020-00132-9 ◽

2020 ◽

Vol 3 (2) ◽

pp. 391-408 ◽

Cited By ~ 6

Author(s):

Shola Elijah Adeniji ◽

David Ebuka Arthur ◽

Mustapha Abdullahi ◽

Abdurrashid Haruna

Keyword(s):

Molecular Docking ◽

Docking Simulation ◽

Dna Gyrase ◽

Computational Design ◽

Activity Relationship ◽

Quantitative Structure ◽

Molecular Docking Simulation ◽

Structure Activity ◽

Relationship Model

Quantitative Structure Activity Relationships

From Molecular Docking to 3D-Quantitative Structure-Activity Relationships (3D-QSAR): Insights into the Binding Mode of 5-Lipoxygenase Inhibitors

Molecular Informatics ◽

10.1002/minf.201100101 ◽

2012 ◽

Vol 31 (2) ◽

pp. 123-134 ◽

Cited By ~ 10

Author(s):

Gokcen Eren ◽

Antonio Macchiarulo ◽

Erden Banoglu

Keyword(s):

Molecular Docking ◽

3D Qsar ◽

Binding Mode ◽

Quantitative Structure ◽

Lipoxygenase Inhibitors ◽

Structure Activity Relationships ◽

Structure Activity ◽

Target and Tissue Selectivity Prediction by Integrated Mechanistic Pharmacokinetic-Target Binding and Quantitative Structure Activity Modeling

The AAPS Journal ◽

10.1208/s12248-017-0172-7 ◽

2017 ◽

Vol 20 (1) ◽

Cited By ~ 3

Author(s):

Anna H. C. Vlot ◽

Wilhelmus E. A. de Witte ◽

Meindert Danhof ◽

Piet H. van der Graaf ◽

Gerard J. P. van Westen ◽

...

Keyword(s):

Quantitative Structure ◽

Structure Activity ◽

Activity Modeling ◽

Tissue Selectivity ◽

Target Binding

Quantum Chemistry, Quantitative Structure-Activity Relationship and Molecular Docking Study on Fenarimol Derivatives with Biological Activity Against Chagas Disease

Journal of Computational and Theoretical Nanoscience ◽

10.1166/jctn.2015.4119 ◽

2015 ◽

Vol 12 (10) ◽

pp. 3309-3321 ◽

Cited By ~ 3

Author(s):

Clauber H. S. Costa ◽

Amanda R. S. Oliveira ◽

Maycon J. S. Pereira ◽

Antonio F. Figueiredo ◽

João E. V. Ferreira ◽

...

Keyword(s):

Biological Activity ◽

Molecular Docking ◽

Quantum Chemistry ◽

Chagas Disease ◽

Docking Study ◽

Activity Relationship ◽

Quantitative Structure ◽

Molecular Docking Study ◽

Three-dimensional quantitative structure–activity relationship (3D-QSAR) analysis and molecular docking-based combined in silico rational approach to design potent and novel TRPV1 antagonists

Medicinal Chemistry Research ◽

10.1007/s00044-012-0226-4 ◽

2012 ◽

Vol 22 (5) ◽

pp. 2312-2327 ◽

Cited By ~ 17

Author(s):

Kamlendra Singh Bhadoriya ◽

Mukesh C. Sharma ◽

Shailesh V. Jain ◽

Ganesh S. Raut ◽

Jyotsna R. Rananaware

Keyword(s):

Molecular Docking ◽

In Silico ◽

Three Dimensional ◽

3D Qsar ◽

Activity Relationship ◽

Rational Approach ◽

Quantitative Structure ◽

Qsar Analysis ◽

Quantitative structure–activity relationship (QSAR) and molecular docking of xanthone derivatives as anti-tuberculosis agents

Journal of Clinical Tuberculosis and Other Mycobacterial Diseases ◽

10.1016/j.jctube.2020.100203 ◽

2020 ◽

Vol 21 ◽

pp. 100203

Author(s):

Emmy Yuanita ◽

Sudirman ◽

Ni Komang Tri Dharmayani ◽

Maria Ulfa ◽

Jufrizal Syahri

Keyword(s):

Molecular Docking ◽

Activity Relationship ◽

Quantitative Structure ◽

Xanthone Derivatives ◽

Molecular Docking and Quantitative Structure Activity Relationship for the Identification of Novel Phyto-inhibitors of Matrix Metalloproteinase-2

Science Letters ◽

10.47262/sl/8.2.132020005 ◽

2020 ◽

Vol 8 (2) ◽

Keyword(s):

Molecular Docking ◽

Matrix Metalloproteinase ◽

Activity Relationship ◽

Matrix Metalloproteinase 2 ◽

Quantitative Structure ◽