Ligand-based design, virtual screening, and ADME/T-based profiling on a dataset of 1,3,5-triazine-substituted benzene sulfonamides as carbonic anhydrase inhibitors

Journal of Chemometrics

Volumn 28, Issue 2, 2014, Pages 108-115

  Saluja, Amrita K ^a   Tiwari, Meena ^a   Kumar, Surendra ^a  

^a SHRI G S INSTITUTE OF TECHNOLOGY AND SCIENCE   (India)

Author keywords

ADME T profiling; Carbonic anhydrase II inhibitors; Carbonic anhydrase IX inhibitors; QSAR; Simulated annealing; Virtual screening

Indexed keywords

AMIDES; BENZENE; CARBONIC ANHYDRASE; CHEMICAL BONDS; COMPUTATIONAL CHEMISTRY; CORROSION INHIBITORS; LINEAR REGRESSION; MOLECULAR GRAPHICS; SIMULATED ANNEALING; SULFUR COMPOUNDS;

ADME/T PROFILING; CARBONIC ANHYDRASE II; CARBONIC ANHYDRASE II INHIBITOR; CARBONIC ANHYDRASE IX INHIBITOR; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIPS ANALYSIS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP MODELING; SUBSTITUTED BENZENES; SULPHONAMIDES; VIRTUAL SCREENING;

LIGANDS;

EID: 84893781236     PISSN: 08869383     EISSN: 1099128X     Source Type: Journal    
DOI: 10.1002/cem.2579     Document Type: Article

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