A quantitative structure-activity relationship analysis of some 4-aminodiphenyl sulfone antibacterial agents using linear free energy and molecular modeling methods

Rosa L. Lopez de Compadre; R. A. Pearlstein; A. J. Hopfinger; J. K. Seydel

doi:10.1021/jm00388a026

A quantitative structure-activity relationship analysis of some 4-aminodiphenyl sulfone antibacterial agents using linear free energy and molecular modeling methods

Journal of Medicinal Chemistry ◽

10.1021/jm00388a026 ◽

1987 ◽

Vol 30 (5) ◽

pp. 900-906 ◽

Cited By ~ 55

Author(s):

Rosa L. Lopez de Compadre ◽

R. A. Pearlstein ◽

A. J. Hopfinger ◽

J. K. Seydel

Keyword(s):

Free Energy ◽

Molecular Modeling ◽

Antibacterial Agents ◽

Quantitative Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Modeling Methods ◽

Linear Free Energy ◽

Structure Activity

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A quantitative structure-activity relationship analysis of some 4-aminodiphenyl sulfone antibacterial agents using linear free energy and molecular modeling methods [Erratum to document cited in CA106(19):152886p]

Journal of Medicinal Chemistry ◽

10.1021/jm00120a011 ◽

1988 ◽

Vol 31 (12) ◽

pp. 2315-2316 ◽

Cited By ~ 3

Author(s):

Rosa L. Lopez de Compadre ◽

R. A. Pearlstein ◽

A. J. Hopfinger ◽

J. K. Seydel

Keyword(s):

Free Energy ◽

Molecular Modeling ◽

Antibacterial Agents ◽

Quantitative Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Modeling Methods ◽

Linear Free Energy ◽

Structure Activity

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Combination of molecular modeling and quantitative structure–activity relationship analysis in the study of antimycobacterial activity of pyridine derivatives

International Journal of Pharmaceutics ◽

10.1016/s0378-5173(00)00498-1 ◽

2000 ◽

Vol 207 (1-2) ◽

pp. 1-6 ◽

Cited By ~ 13

Author(s):

Věra Klimešová ◽

Karel Palát ◽

Karel Waisser ◽

Jiřı́ Klimeš

Keyword(s):

Molecular Modeling ◽

Antimycobacterial Activity ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Pyridine Derivatives ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity

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Immunoassay for Phenylurea Herbicides: Application of Molecular Modeling and Quantitative Structure–Activity Relationship Analysis on an Antigen–Antibody Interaction Study

Analytical Chemistry ◽

10.1021/ac200227v ◽

2011 ◽

Vol 83 (12) ◽

pp. 4767-4774 ◽

Cited By ~ 29

Author(s):

Meng Yuan ◽

Bing Liu ◽

Enmei Liu ◽

Wei Sheng ◽

Yan Zhang ◽

...

Keyword(s):

Molecular Modeling ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Interaction Study ◽

Phenylurea Herbicides ◽

Relationship Analysis ◽

Structure Activity ◽

Antigen Antibody

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Quantitative Structure-Activity Relationship Analysis of the Cation Permeability of the P2X2 Channel

Medicinal Chemistry ◽

10.2174/1573406053175210 ◽

2005 ◽

Vol 1 (2) ◽

pp. 109-115 ◽

Cited By ~ 3

Author(s):

Peter Mager ◽

Anje Weber ◽

Peter Illes

Keyword(s):

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity ◽

Cation Permeability

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In-silico Comparative Study and Quantitative Structure-activity Relationship Analysis of Some Structural Physiochemical Descriptors of Elvitegravir Analogs

Journal of Young Pharmacists ◽

10.4103/0975-1483.83776 ◽

2011 ◽

Vol 3 (3) ◽

pp. 246-249 ◽

Cited By ~ 3

Author(s):

R. Satpathy ◽

S. Ghosh

Keyword(s):

Comparative Study ◽

In Silico ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity

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Quantitative Structure-Activity Relationship Analysis of the Substituent Effects on the Binding Affinity of Derivatives of Trimetazidine

Arzneimittelforschung ◽

10.1055/s-0031-1296930 ◽

2011 ◽

Vol 54 (01) ◽

pp. 9-14

Author(s):

Svetoslav Slavov ◽

Maria Djunlieva ◽

Sonia Ilieva ◽

Boris Galabov

Keyword(s):

Binding Affinity ◽

Substituent Effects ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity ◽

Derivatives Of

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Antileishmanial Chalcones: Statistical Design, Synthesis, and Three-Dimensional Quantitative Structure−Activity Relationship Analysis

Journal of Medicinal Chemistry ◽

10.1021/jm980410m ◽

1998 ◽

Vol 41 (24) ◽

pp. 4819-4832 ◽

Cited By ~ 183

Author(s):

Simon Feldbæk Nielsen ◽

Søren Brøgger Christensen ◽

Gabriele Cruciani ◽

Arsalan Kharazmi ◽

Tommy Liljefors

Keyword(s):

Three Dimensional ◽

Statistical Design ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Design Synthesis ◽

Relationship Analysis ◽

Structure Activity

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ChemInform Abstract: Synthesis, Fungitoxicity and Quantitative Structure-Activity Relationship Analysis of O-Aryl O-Ethyl 2-Chloroethyl Phosphonates.

ChemInform ◽

10.1002/chin.199916173 ◽

2010 ◽

Vol 30 (16) ◽

pp. no-no

Author(s):

Atulya K. Panda ◽

N. K. Roy

Keyword(s):

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity

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The use of ladder particle swarm optimisation for quantitative structure–activity relationship analysis of human immunodeficiency virus-1 integrase inhibitors

Molecular Simulation ◽

10.1080/08927022.2011.586347 ◽

2011 ◽

Vol 37 (15) ◽

pp. 1221-1233 ◽

Cited By ~ 3

Author(s):

Mehdi Jalali-Heravi ◽

Heshmatollah Ebrahimi-Najafabadi

Keyword(s):

Human Immunodeficiency Virus ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Integrase Inhibitors ◽

Relationship Analysis ◽

Structure Activity ◽

Immunodeficiency Virus ◽

Human Immunodeficiency Virus 1

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Proposal of a New Binding Orientation for Non-Peptide AT1 Antagonists: Homology Modeling, Docking and Three-Dimensional Quantitative Structure−Activity Relationship Analysis

Journal of Medicinal Chemistry ◽

10.1021/jm060338p ◽

2006 ◽

Vol 49 (14) ◽

pp. 4305-4316 ◽

Cited By ~ 60

Author(s):

Tiziano Tuccinardi ◽

Vincenzo Calderone ◽

Simona Rapposelli ◽

Adriano Martinelli

Keyword(s):

Homology Modeling ◽

Three Dimensional ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity ◽

At1 Antagonists ◽

Binding Orientation

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