Molecular Field Analysis and 3D-Quantitative Structure−Activity Relationship Study (MFA 3D-QSAR) Unveil Novel Features of Bile Acid Recognition at TGR5

Antonio Macchiarulo; Antimo Gioiello; Charles Thomas; Alberto Massarotti; Roberto Nuti; Emiliano Rosatelli; Paola Sabbatini; Kristina Schoonjans; Johan Auwerx; Roberto Pellicciari

doi:10.1021/ci800196h

Molecular Field Analysis and 3D-Quantitative Structure−Activity Relationship Study (MFA 3D-QSAR) Unveil Novel Features of Bile Acid Recognition at TGR5

Journal of Chemical Information and Modeling ◽

10.1021/ci800196h ◽

2008 ◽

Vol 48 (9) ◽

pp. 1792-1801 ◽

Cited By ~ 17

Author(s):

Antonio Macchiarulo ◽

Antimo Gioiello ◽

Charles Thomas ◽

Alberto Massarotti ◽

Roberto Nuti ◽

...

Keyword(s):

Bile Acid ◽

3D Qsar ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Field Analysis ◽

Molecular Field ◽

Activity Relationship ◽

Quantitative Structure ◽

Structure Activity ◽

Relationship Study

Download Full-text

ChemInform Abstract: Molecular Field Analysis and 3D-Quantitative Structure-Activity Relationship Study (MFA 3D-QSAR) Unveil Novel Features of Bile Acid Recognition at TGR5.

ChemInform ◽

10.1002/chin.200851213 ◽

2008 ◽

Vol 39 (51) ◽

Author(s):

Antonio Macchiarulo ◽

Antimo Gioiello ◽

Charles Thomas ◽

Alberto Massarotti ◽

Roberto Nuti ◽

...

Keyword(s):

Bile Acid ◽

3D Qsar ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Field Analysis ◽

Molecular Field ◽

Activity Relationship ◽

Quantitative Structure ◽

Structure Activity ◽

Relationship Study

Download Full-text

Three-Dimensional Quantitative Structure−Activity Relationship Study of the Cannabimimetic (Aminoalkyl)indoles Using Comparative Molecular Field Analysis

Journal of Medicinal Chemistry ◽

10.1021/jm980305c ◽

1998 ◽

Vol 41 (23) ◽

pp. 4521-4532 ◽

Cited By ~ 32

Author(s):

Joong-Youn Shim ◽

Elizabeth R. Collantes ◽

William J. Welsh ◽

Babu Subramaniam ◽

Allyn C. Howlett ◽

...

Keyword(s):

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Field Analysis ◽

Molecular Field ◽

Activity Relationship ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Structure Activity ◽

Relationship Study

Download Full-text

Three-Dimensional Quantitative Structure−Activity Relationship Study of the Inhibition of Na+,K+-ATPase by Cardiotonic Steroids Using Comparative Molecular Field Analysis†

Biochemistry ◽

10.1021/bi011511g ◽

2002 ◽

Vol 41 (4) ◽

pp. 1137-1148 ◽

Cited By ~ 23

Author(s):

Carol D. Farr ◽

Craig Burd ◽

Michael R. Tabet ◽

Xia Wang ◽

William J. Welsh ◽

...

Keyword(s):

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Field Analysis ◽

Molecular Field ◽

Activity Relationship ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Structure Activity ◽

Relationship Study

Download Full-text

Three-Dimensional Quantitative Structure-Activity Relationship Studies on UGT1A9-Mediated 3-O-Glucuronidation of Natural Flavonols Using a Pharmacophore-Based Comparative Molecular Field Analysis Model

Journal of Pharmacology and Experimental Therapeutics ◽

10.1124/jpet.110.175356 ◽

2010 ◽

Vol 336 (2) ◽

pp. 403-413 ◽

Cited By ~ 31

Author(s):

Baojian Wu ◽

John Kenneth Morrow ◽

Rashim Singh ◽

Shuxing Zhang ◽

Ming Hu

Keyword(s):

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Field Analysis ◽

Molecular Field ◽

Activity Relationship ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Analysis Model ◽

Structure Activity

Download Full-text

Three-Dimensional Quantitative Structure-Activity Relationship of ArylalkylamineN-acetyltransferase (AANAT) Inhibitors: A Comparative Molecular Field Analysis

Quantitative Structure-Activity Relationships ◽

10.1002/1521-3838(200112)20:5/6<414::aid-qsar414>3.0.co;2-v ◽

2001 ◽

Vol 20 (5-6) ◽

pp. 414-421 ◽

Cited By ~ 2

Author(s):

Philippe Chavatte ◽

Saïd Yous ◽

Nathalie Beaurain ◽

Christophe Mésangeau ◽

Gilles Ferry ◽

...

Keyword(s):

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Field Analysis ◽

Molecular Field ◽

Activity Relationship ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Structure Activity ◽

Relationship Of

Download Full-text

Three-dimensional Quantitative Structure–activity Relationship Modeling of γ-Secretase Inhibitors using Molecular Field Analysis

Chemical Biology & Drug Design ◽

10.1111/j.1747-0285.2007.00622.x ◽

2008 ◽

Vol 71 (2) ◽

pp. 155-166 ◽

Cited By ~ 2

Author(s):

Tarnvir Sammi ◽

Om Silakari ◽

Muttineni Ravikumar

Keyword(s):

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Field Analysis ◽

Molecular Field ◽

Activity Relationship ◽

Quantitative Structure ◽

Molecular Field Analysis ◽

Structure Activity

Download Full-text

Three-dimensional quantitative structure activity relationship (QSAR) of cytotoxic active 3,5-diaryl-4,5-dihydropyrazole analogs: a comparative molecular field analysis (CoMFA) revisited study

Chemistry Central Journal ◽

10.1186/1752-153x-6-50 ◽

2012 ◽

Vol 6 (1) ◽

Cited By ~ 2

Author(s):

Abdel-Sattar S Hamad Elgazwy ◽

DaliaH S Soliman ◽

Saad R Atta-Allah ◽

Diaa A Ibrahim

Keyword(s):

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Field Analysis ◽

Molecular Field ◽

Activity Relationship ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Molecular Field Analysis ◽

Structure Activity

Download Full-text

Hologram quantitative structure–activity relationship and topomer comparative molecular-field analysis to predict the affinities of azo dyes for cellulose fibers

Dyes and Pigments ◽

10.1016/j.dyepig.2018.01.053 ◽

2018 ◽

Vol 153 ◽

pp. 35-43 ◽

Cited By ~ 4

Author(s):

Shuling Yu ◽

Qiaoqiao Zhou ◽

Xuliang Zhang ◽

Shuxin Jia ◽

Ying Gan ◽

...

Keyword(s):

Azo Dyes ◽

Cellulose Fibers ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Field Analysis ◽

Molecular Field ◽

Activity Relationship ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Structure Activity

Download Full-text

Use of Electron Densities in Comparative Molecular Field Analysis (CoMFA): A Quantitative Structure Activity Relationship (QSAR) for Electronic Effects of Groups

Quantitative Structure-Activity Relationships ◽

10.1002/qsar.19970160405 ◽

1997 ◽

Vol 16 (4) ◽

pp. 303-308 ◽

Cited By ~ 9

Author(s):

Roy J. Vaz

Keyword(s):

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Field Analysis ◽

Molecular Field ◽

Activity Relationship ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Electronic Effects ◽

Electron Densities ◽

Structure Activity

Download Full-text

Three-Dimensional Quantitative Structure–Activity Relationship ofMT3 Melatonin Binding Site Ligands: A Comparative Molecular Field Analysis

QSAR & Combinatorial Science ◽

10.1002/qsar.200630131 ◽

2007 ◽

Vol 26 (7) ◽

pp. 820-827 ◽

Cited By ~ 3

Author(s):

Amaury Farce ◽

Sébastien Dilly ◽

Ahmed Sabaouni ◽

Saïd Yous ◽

Pascal Berthelot ◽

...

Keyword(s):

Binding Site ◽

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Field Analysis ◽

Molecular Field ◽

Activity Relationship ◽

Comparative Molecular Field Analysis ◽

Quantitative Structure ◽

Structure Activity

Download Full-text