Three-Dimensional Quantitative Structure−Activity Relationships of Cyclo-oxygenase-2 (COX-2) Inhibitors: A Comparative Molecular Field Analysis

Philippe Chavatte; Saïd Yous; Christophe Marot; Nicolas Baurin; Daniel Lesieur

doi:10.1021/jm0101343

Three-Dimensional Quantitative Structure−Activity Relationships of Cyclo-oxygenase-2 (COX-2) Inhibitors: A Comparative Molecular Field Analysis

Journal of Medicinal Chemistry ◽

10.1021/jm0101343 ◽

2001 ◽

Vol 44 (20) ◽

pp. 3223-3230 ◽

Cited By ~ 76

Author(s):

Philippe Chavatte ◽

Saïd Yous ◽

Christophe Marot ◽

Nicolas Baurin ◽

Daniel Lesieur

Keyword(s):

Three Dimensional ◽

Field Analysis ◽

Molecular Field ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Cox 2 ◽

Quantitative Structure Activity Relationships ◽

Cox 2 Inhibitors

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Three Dimensional Quantitative Structure-Activity Relationships of Sulfonamides Binding Monoclonal Antibody by Comparative Molecular Field Analysis

Nature Precedings ◽

10.1038/npre.2008.2646.1 ◽

2008 ◽

Author(s):

Zhanhui Wang ◽

Xingyuan Cao ◽

Zhenpeng Kai ◽

Ross Beier ◽

Congming Wu ◽

...

Keyword(s):

Monoclonal Antibody ◽

Three Dimensional ◽

Field Analysis ◽

Molecular Field ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Molecular Field Analysis ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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3D-Quantitative Structure-Activity Relationships: Nonlinear Dependence Described Directly from 3D Structures Using a Comparative Molecular Field Analysis (CoMFA) Approach

Quantitative Structure-Activity Relationships ◽

10.1002/qsar.2660110302 ◽

1992 ◽

Vol 11 (3) ◽

pp. 309-317 ◽

Cited By ~ 15

Author(s):

Ki Hwan Kim

Keyword(s):

Field Analysis ◽

Molecular Field ◽

Nonlinear Dependence ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

3D Structures ◽

Structure Activity Relationships ◽

Molecular Field Analysis ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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3D-Quantitative Structure-Activity Relationships: Describing Hydrophobic Interactions Directly from 3D Structures Using a Comparative Molecular Field Analysis (CoMFA) Approach

Quantitative Structure-Activity Relationships ◽

10.1002/qsar.19930120303 ◽

1993 ◽

Vol 12 (3) ◽

pp. 232-238 ◽

Cited By ~ 21

Author(s):

Ki Hwan Kim

Keyword(s):

Hydrophobic Interactions ◽

Field Analysis ◽

Molecular Field ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

3D Structures ◽

Structure Activity Relationships ◽

Molecular Field Analysis ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Quantitative structure-activity relationships of light-dependent herbicidal 4-pyridone-3-carboxanilides III. 3-D (comparative molecular field) analysis including light-dependent diphenyl ether herbicides

Pesticide Science ◽

10.1002/ps.2780350215 ◽

1992 ◽

Vol 35 (2) ◽

pp. 187-200 ◽

Cited By ~ 4

Author(s):

Hirokazu Osabe ◽

Yasuo Morishima ◽

Yukihisa Goto ◽

Toshio Fujita

Keyword(s):

Diphenyl Ether ◽

Field Analysis ◽

Molecular Field ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Molecular Field Analysis ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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3D-Quantitative Structure-Activity Relationships: Investigation of Steric Effects with Descriptors Directly from 3D Structures Using a Comparative Molecular Field Analysis (CoMFA) Approach

Quantitative Structure-Activity Relationships ◽

10.1002/qsar.2660110402 ◽

1992 ◽

Vol 11 (4) ◽

pp. 453-460 ◽

Cited By ~ 13

Author(s):

Ki Hwan Kim

Keyword(s):

Field Analysis ◽

Molecular Field ◽

Steric Effects ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

3D Structures ◽

Structure Activity Relationships ◽

Molecular Field Analysis ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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3D-Quantitative Structure-Activity Relationships: Description of Electronic Effects Directly from 3D Structures Using a GRID-Comparative Molecular Field Analysis (CoMFA) Approach

Quantitative Structure-Activity Relationships ◽

10.1002/qsar.19920110202 ◽

1992 ◽

Vol 11 (2) ◽

pp. 127-134 ◽

Cited By ~ 21

Author(s):

Ki Hwan Kim

Keyword(s):

Field Analysis ◽

Molecular Field ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Electronic Effects ◽

3D Structures ◽

Structure Activity Relationships ◽

Molecular Field Analysis ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Quantitative Structure-Activity Relationships/Comparative Molecular Field Analysis (QSAR/CoMFA) for Receptor-Binding Properties of Halogenated Estradiol Derivatives

Journal of Medicinal Chemistry ◽

10.1021/jm00050a013 ◽

1994 ◽

Vol 37 (24) ◽

pp. 4164-4176 ◽

Cited By ~ 57

Author(s):

Tsvetan G. Gantchev ◽

Hasrat Ali ◽

Johan E. van Lier

Keyword(s):

Receptor Binding ◽

Field Analysis ◽

Molecular Field ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Binding Properties ◽

Structure Activity Relationships ◽

Structure Activity ◽

Estradiol Derivatives ◽

Quantitative Structure Activity Relationships

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3D-Quantitative Structure-Activity Relationships for Hydrophobic Interactions: Comparative Molecular Field Analysis (CoMFA) including Molecular Lipophilicity Potentials as Applied to the Glycine Conjugation of Aromatic as well as Aliphatic Carboxylic Acids

Quantitative Structure-Activity Relationships ◽

10.1002/qsar.19960150303 ◽

1996 ◽

Vol 15 (3) ◽

pp. 194-200 ◽

Cited By ~ 4

Author(s):

Takashi Masuda ◽

Katsuhiko Nakamura ◽

Takahiro Jikihara ◽

Fumiyo Kasuya ◽

Kazuo Igarashi ◽

...

Keyword(s):

Carboxylic Acids ◽

Hydrophobic Interactions ◽

Field Analysis ◽

Molecular Field ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Aliphatic Carboxylic Acids

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Predictive Models for GABAA/Benzodiazepine Receptor Subtypes: Studies of Quantitative Structure−Activity Relationships for Imidazobenzodiazepines at Five Recombinant GABAA/Benzodiazepine Receptor Subtypes [αxβ3γ2 (x= 1−3, 5, and 6)] via Comparative Molecular Field Analysis

Journal of Medicinal Chemistry ◽

10.1021/jm980317y ◽

1998 ◽

Vol 41 (21) ◽

pp. 4130-4142 ◽

Cited By ~ 23

Author(s):

Qi Huang ◽

Ruiyan Liu ◽

Puwen Zhang ◽

Xiaohui He ◽

Ruth McKernan ◽

...

Keyword(s):

Predictive Models ◽

Benzodiazepine Receptor ◽

Field Analysis ◽

Molecular Field ◽

Receptor Subtypes ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Three-dimensional quantitative structure–activity relationships study on HIV-1 reverse transcriptase inhibitors in the class of dipyridodiazepinone derivatives, using comparative molecular field analysis

Journal of Molecular Graphics and Modelling ◽

10.1016/s1093-3263(00)00053-x ◽

2000 ◽

Vol 18 (6) ◽

pp. 581-590 ◽

Cited By ~ 23

Author(s):

Pornpan Pungpo ◽

Supa Hannongbua

Keyword(s):

Reverse Transcriptase ◽

Three Dimensional ◽

Field Analysis ◽

Molecular Field ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Reverse Transcriptase Inhibitors ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Hiv 1

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