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

Gokcen Eren; Antonio Macchiarulo; Erden Banoglu

doi:10.1002/minf.201100101

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 ◽

Quantitative Structure Activity Relationships

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Quantitative Structure-Activity Relationships of 5-Lipoxygenase Inhibitors. Inhibitory Potency of Pyridazinone Analogues

Journal of Pharmaceutical Sciences ◽

10.1002/jps.2600830334 ◽

1994 ◽

Vol 83 (3) ◽

pp. 433-438 ◽

Cited By ~ 11

Author(s):

Ki H Kim ◽

Yvonne C Martin ◽

Dee W. Brooks ◽

Richard D. Dyer ◽

George W. Carter

Keyword(s):

Quantitative Structure ◽

Inhibitory Potency ◽

Lipoxygenase Inhibitors ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Towards to potential 2-cyano-pyrimidines cathepsin-K inhibitors: An in silico design and screening research based on comprehensive application of quantitative structure–activity relationships, molecular docking and ADMET prediction

Journal of Molecular Structure ◽

10.1016/j.molstruc.2019.06.020 ◽

2019 ◽

Vol 1195 ◽

pp. 914-928 ◽

Cited By ~ 5

Author(s):

Jiaolong Wang ◽

Wei Peng ◽

Xinyu Li ◽

Wenxiang Fan ◽

Daneng Wei ◽

...

Keyword(s):

Molecular Docking ◽

In Silico ◽

Cathepsin K ◽

Quantitative Structure ◽

In Silico Design ◽

Structure Activity Relationships ◽

Structure Activity ◽

Cathepsin K Inhibitors ◽

Quantitative Structure Activity Relationships

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Review in Quantitative Structure Activity Relationships on Lipoxygenase Inhibitors

Mini-Reviews in Medicinal Chemistry ◽

10.2174/1389557033487999 ◽

2003 ◽

Vol 3 (5) ◽

pp. 487-499 ◽

Cited By ~ 20

Author(s):

Pontiki Eleni ◽

Hadjipavlou-Litina Dimitra

Keyword(s):

Quantitative Structure ◽

Lipoxygenase Inhibitors ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Combined Three Dimensional Quantitative Structure Activity Relationships (3D-QSAR) Modeling and Molecular Docking Studies on Naphthoquinone Analogs as Proteasome Inhibitors

Letters in Drug Design & Discovery ◽

10.2174/157018013804725125 ◽

2012 ◽

Vol 10 (2) ◽

pp. 129-144 ◽

Cited By ~ 1

Author(s):

Guanhong Xu ◽

Zhou Zhou ◽

Fei Li

Keyword(s):

Molecular Docking ◽

Three Dimensional ◽

Proteasome Inhibitors ◽

3D Qsar ◽

Docking Studies ◽

Quantitative Structure ◽

Qsar Modeling ◽

Molecular Docking Studies ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Predicting anti-androgenic activity of bisphenols using molecular docking and quantitative structure-activity relationships

Chemosphere ◽

10.1016/j.chemosphere.2016.08.062 ◽

2016 ◽

Vol 163 ◽

pp. 373-381 ◽

Cited By ~ 23

Author(s):

Xianhai Yang ◽

Huihui Liu ◽

Qian Yang ◽

Jining Liu ◽

Jingwen Chen ◽

...

Keyword(s):

Molecular Docking ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Androgenic Activity ◽

Quantitative Structure Activity Relationships

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Quantitative Structure-Activity Relationships (QSAR): A Review of 3D QSAR

Combinatorial Library Design and Evaluation ◽

10.1201/9781482270761-10 ◽

2001 ◽

pp. 151-176

Keyword(s):

3D Qsar ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Molecular Docking and Three‐Dimensional Quantitative Structure–Activity Relationships for Antitubercular Pyrimidine Derivatives

Polycyclic Aromatic Compounds ◽

10.1080/10406638.2021.1885455 ◽

2021 ◽

pp. 1-14

Author(s):

Praveen M. Parkali ◽

A. Shyam Kumar ◽

Pohamba Johanna K ◽

Shilomboleni Prodensia T ◽

Sruthi Turaga ◽

...

Keyword(s):

Molecular Docking ◽

Three Dimensional ◽

Quantitative Structure ◽

Pyrimidine Derivatives ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Artificial neural network‐based quantitative structure–activity relationships model and molecular docking for virtual screening of novel potent acetylcholinesterase inhibitors

Journal of the Chinese Chemical Society ◽

10.1002/jccs.202000457 ◽

2021 ◽

Author(s):

Enfale Zerroug ◽

Salah Belaidi ◽

Samir Chtita

Keyword(s):

Neural Network ◽

Artificial Neural Network ◽

Molecular Docking ◽

Virtual Screening ◽

Acetylcholinesterase Inhibitors ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Artificial Neural

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Quantitative Structure Activity Relationships (QSARs) on Lipoxygenase Inhibitors

Current Medicinal Chemistry - Anti-Inflammatory & Anti-Allergy Agents ◽

10.2174/1568014043355375 ◽

2004 ◽

Vol 3 (2) ◽

pp. 139-156 ◽

Cited By ~ 6

Author(s):

Eleni Pontiki ◽

Dimitra Hadjipavlou-Litina

Keyword(s):

Quantitative Structure ◽

Lipoxygenase Inhibitors ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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3D-QSAR (three-dimensional quantitative structure–activity relationships)

IUPAC Compendium of Chemical Terminology ◽

10.1351/goldbook.dt06959 ◽

2008 ◽

Keyword(s):

Three Dimensional ◽

3D Qsar ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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