Understanding the Molecular Determinant of Reversible Human Monoamine Oxidase B Inhibitors Containing 2H-Chromen-2-One Core: Structure-Based and Ligand-Based Derived Three-Dimensional Quantitative Structure–Activity Relationships Predictive Models

Structure Activity ◽

Molecular Determinant ◽

Inhibition of Monoamine Oxidase-B by 5H-Indeno[1,2-c]pyridazines: Biological Activities, Quantitative Structure-Activity Relationships (QSARs) and 3D-QSARs

10.1021/jm00019a018 ◽

1995 ◽

Vol 38 (19) ◽

pp. 3874-3883 ◽

Cited By ~ 42

Author(s):

Silvia Kneubuehler ◽

Ulrike Thull ◽

Cosimo Altomare ◽

Vincenco Carta ◽

Patrick Gaillard ◽

...

Keyword(s):

Monoamine Oxidase ◽

Biological Activities ◽

Monoamine Oxidase B ◽

Quantitative Structure ◽

Structure Activity ◽

ChemInform Abstract: Inhibition of Monoamine Oxidase-B by 5H-Indeno(1,2-c)pyridazines: Biological Activities, Quantitative Structure-Activity Relationships ( QSARs) and 3D-QSARs.

ChemInform ◽

10.1002/chin.199603159 ◽

2010 ◽

Vol 27 (3) ◽

pp. no-no

Author(s):

S. KNEUBUEHLER ◽

U. THULL ◽

C. ALTOMARE ◽

V. CARTA ◽

P. GAILLARD ◽

...

Keyword(s):

Monoamine Oxidase ◽

Biological Activities ◽

Monoamine Oxidase B ◽

Quantitative Structure ◽

Structure Activity ◽

QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS IN THE OXIDATION OF BENZYLAMINE ANALOGUES BY BOVINE LIVER MONOAMINE OXIDASE B

Flavins and Flavoproteins 1993 ◽

10.1515/9783110885774-021 ◽

1994 ◽

pp. 109-116

Keyword(s):

Monoamine Oxidase ◽

Bovine Liver ◽

Monoamine Oxidase B ◽

Quantitative Structure ◽

Structure Activity ◽

Three-dimensional quantitative structure-activity relationships of pyrrolopyridinone as cell division cycle kinase inhibitors by CoMFA and CoMSIA

Journal of Molecular Modeling ◽

10.1007/s00894-011-1016-5 ◽

2011 ◽

Vol 17 (8) ◽

pp. 2113-2130 ◽

Cited By ~ 2

Author(s):

Junxia Zheng ◽

Gaokeng Xiao ◽

Jialiang Guo ◽

Longyi Rao ◽

Wei Chao ◽

...

Keyword(s):

Cell Division ◽

Kinase Inhibitors ◽

Three Dimensional ◽

Cell Division Cycle ◽

Quantitative Structure ◽

Structure Activity ◽

Prediction of Cross-Recognition of Peptide-HLA A2 by Melan-A-Specific Cytotoxic T Lymphocytes Using Three-Dimensional Quantitative Structure-Activity Relationships

PLoS ONE ◽

10.1371/journal.pone.0065590 ◽

2013 ◽

Vol 8 (7) ◽

pp. e65590 ◽

Cited By ~ 3

Author(s):

Theres Fagerberg ◽

Vincent Zoete ◽

Sebastien Viatte ◽

Petra Baumgaertner ◽

Pedro M. Alves ◽

...

Keyword(s):

T Lymphocytes ◽

Cytotoxic T Lymphocytes ◽

Three Dimensional ◽

Quantitative Structure ◽

Structure Activity ◽

Three-dimensional structural databases developed for quantitative structure—activity relationships studies

Chemometrics and Intelligent Laboratory Systems ◽

10.1016/0169-7439(90)80121-l ◽

1990 ◽

Vol 8 (2) ◽

pp. 93

Keyword(s):

Three Dimensional ◽

Quantitative Structure ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Structural Databases

Three-dimensional quantitative structure-activity relationships of 5-HT receptor binding data for tetrahydropyridinylindole derivatives: a comparison of the Hansch and CoMFA methods

10.1021/jm00077a003 ◽

1993 ◽

Vol 36 (25) ◽

pp. 4006-4014 ◽

Cited By ~ 49

Author(s):

Atul Agarwal ◽

Philip P. Pearson ◽

Ethan Will Taylor ◽

Hong B. Li ◽

Torsten Dahlgren ◽

...

Keyword(s):

Receptor Binding ◽

Three Dimensional ◽

Quantitative Structure ◽

Structure Activity ◽

Binding Data ◽

Three-Dimensional Quantitative Structure−Activity Relationships from Molecular Similarity Matrices and Genetic Neural Networks. 1. Method and Validations

10.1021/jm970487v ◽

1997 ◽

Vol 40 (26) ◽

pp. 4347-4359 ◽

Cited By ~ 96

Author(s):

Sung-Sau So ◽

Martin Karplus

Keyword(s):

Neural Networks ◽

Molecular Similarity ◽

Three Dimensional ◽

Quantitative Structure ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Similarity Matrices

Three-Dimensional Quantitative Structure−Activity Relationships from Molecular Similarity Matrices and Genetic Neural Networks. 2. Applications

10.1021/jm970488n ◽

1997 ◽

Vol 40 (26) ◽

pp. 4360-4371 ◽

Cited By ~ 52

Author(s):

Sung-Sau So ◽

Martin Karplus

Keyword(s):

Neural Networks ◽

Molecular Similarity ◽

Three Dimensional ◽

Quantitative Structure ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Similarity Matrices

Computational identification of RNA functional determinants by three-dimensional quantitative structure–activity relationships

Nucleic Acids Research ◽

10.1093/nar/gku816 ◽

2014 ◽

Vol 42 (17) ◽

pp. 11261-11271 ◽

Cited By ~ 4

Author(s):

Marc-Frédérick Blanchet ◽

Karine St-Onge ◽

Véronique Lisi ◽

Julie Robitaille ◽

Sylvie Hamel ◽

...

Keyword(s):

Three Dimensional ◽

Quantitative Structure ◽

Structure Activity ◽

Computational Identification ◽