On the structure selectivity problem in drug design. A comparative study of benzylpyrimidine inhibition of vertebrate and bacterial dihydrofolate reductase via molecular graphics and quantitative structure-activity relationships

Cynthia Dias Selassie; Zhaoxia Fang; Renli Li; Corwin Hansch; Gargi Debnath; Teri Klein; Robert Langridge; Bernard T. Kaufman

doi:10.1021/jm00128a035

On the structure selectivity problem in drug design. A comparative study of benzylpyrimidine inhibition of vertebrate and bacterial dihydrofolate reductase via molecular graphics and quantitative structure-activity relationships

Journal of Medicinal Chemistry ◽

10.1021/jm00128a035 ◽

1989 ◽

Vol 32 (8) ◽

pp. 1895-1905 ◽

Cited By ~ 25

Author(s):

Cynthia Dias Selassie ◽

Zhaoxia Fang ◽

Renli Li ◽

Corwin Hansch ◽

Gargi Debnath ◽

...

Keyword(s):

Drug Design ◽

Comparative Study ◽

Dihydrofolate Reductase ◽

Quantitative Structure ◽

Molecular Graphics ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

Download Full-text

Crystallography, quantitative structure-activity relationships, (QSAR) and molecular graphics in a comparative analysis of the inhibition of dihydrofolate reductase from chicken liver and Lactobacillus casei by 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(substituted-phenyl)-s-triazines

Journal of Medicinal Chemistry ◽

10.1021/jm00368a006 ◽

1984 ◽

Vol 27 (2) ◽

pp. 129-143 ◽

Cited By ~ 36

Author(s):

Corwin Hansch ◽

Bruce A. Hathaway ◽

Zongru Guo ◽

Cynthia Dias Selassie ◽

Stephen W. Dietrich ◽

...

Keyword(s):

Comparative Analysis ◽

Dihydrofolate Reductase ◽

Lactobacillus Casei ◽

Chicken Liver ◽

Quantitative Structure ◽

Molecular Graphics ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

Download Full-text

ChemInform Abstract: CRYSTALLOGRAPHY, QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, (QSAR) AND MOLECULAR GRAPHICS IN A COMPARATIVE ANALYSIS OF THE INHIBITION OF DIHYDROFOLATE REDUCTASE FROM CHICKEN LIVER AND LACTOBACILLUS CASEI BY 4,6-DIAMINO-1,2-DIHYDRO

Chemischer Informationsdienst ◽

10.1002/chin.198429224 ◽

1984 ◽

Vol 15 (29) ◽

Author(s):

C. HANSCH ◽

B. A. HATHAWAY ◽

Z. GUO ◽

C. D. SELASSIE ◽

S. W. DIETRICH ◽

...

Keyword(s):

Comparative Analysis ◽

Dihydrofolate Reductase ◽

Lactobacillus Casei ◽

Chicken Liver ◽

Quantitative Structure ◽

Molecular Graphics ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

Download Full-text

Quantitative Structure−Activity Relationships of 2,4-Diamino-5-(2-X-benzyl)pyrimidines versus Bacterial and Avian Dihydrofolate Reductase†

Journal of Medicinal Chemistry ◽

10.1021/jm970776j ◽

1998 ◽

Vol 41 (22) ◽

pp. 4261-4272 ◽

Cited By ~ 13

Author(s):

Cynthia Dias Selassie ◽

Wei-Xi Gan ◽

Lara S. Kallander ◽

Teri E. Klein

Keyword(s):

Dihydrofolate Reductase ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

Download Full-text

Applications of neural networks in quantitative structure-activity relationships of dihydrofolate reductase inhibitors

Journal of Medicinal Chemistry ◽

10.1021/jm00113a022 ◽

1991 ◽

Vol 34 (9) ◽

pp. 2824-2836 ◽

Cited By ~ 201

Author(s):

T. A. Andrea ◽

Hooshmand Kalayeh

Keyword(s):

Neural Networks ◽

Dihydrofolate Reductase ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Reductase Inhibitors ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Dihydrofolate Reductase Inhibitors

Download Full-text

6 Quantitative drug design: parameters and quantitative structure activity relationships

SPARK ◽

10.1515/spark.77.7 ◽

2018 ◽

Author(s):

Joaquín M. Campos Rosa ◽

M. Encarnación Camacho Quesada

Keyword(s):

Drug Design ◽

Design Parameters ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

Download Full-text

ChemInform Abstract: MULTIVARIATE ANALYSIS AND QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS. INHIBITION OF DIHYDROFOLATE REDUCTASE AND THYMIDYLATE SYNTHETASE BY QUINAZOLINES

Chemischer Informationsdienst ◽

10.1002/chin.197940334 ◽

1979 ◽

Vol 10 (40) ◽

Author(s):

B.-K. CHEN ◽

C. HORVATH ◽

J. R. BERTINO

Keyword(s):

Multivariate Analysis ◽

Dihydrofolate Reductase ◽

Thymidylate Synthetase ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

Download Full-text

ChemInform Abstract: QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS BY DISTANCE GEOMETRY: SYSTEMATIC ANALYSIS OF DIHYDROFOLATE REDUCTASE INHIBITORS

Chemischer Informationsdienst ◽

10.1002/chin.198042296 ◽

1980 ◽

Vol 11 (42) ◽

Author(s):

G. M. CRIPPEM

Keyword(s):

Dihydrofolate Reductase ◽

Distance Geometry ◽

Quantitative Structure ◽

Systematic Analysis ◽

Structure Activity Relationships ◽

Reductase Inhibitors ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Dihydrofolate Reductase Inhibitors

Download Full-text

6. Quantitative drug design: parameters and quantitative structure activity relationships

Drug Design and Action ◽

10.1515/9783110528480-007 ◽

2017 ◽

pp. 90-106

Keyword(s):

Drug Design ◽

Design Parameters ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

Download Full-text

Quantitative Structure-Activity Relationships in Drug-Design

Drug Receptor Interactions in Antimicrobial Chemotherapy - Topics in Infectious Diseases ◽

10.1007/978-3-7091-8405-9_4 ◽

1975 ◽

pp. 45-56

Author(s):

Albert J. Leo

Keyword(s):

Drug Design ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

Download Full-text

Quantitative Structure-Activity Relationships (QSAR)The definition also appears in the Glossary on Computational Drug Design.

IUPAC Standards Online ◽

10.1515/iupac.70.0145 ◽

2016 ◽

Author(s):

C. G. Wermuth ◽

C. R. Ganellin ◽

P. Lindberg ◽

L. A. Mitscher

Keyword(s):

Drug Design ◽

Quantitative Structure ◽

Computational Drug Design ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

Download Full-text