Correlation analyses on binding affinity of substituted benzenesulfonamides with carbonic anhydrase using ab initio MO calculations on their complex structures (II)

Bioorganic and Medicinal Chemistry Letters

Volumn 21, Issue 1, 2011, Pages 141-144

  Munei, Yohei ^a   Shimamoto, Kazunori ^a   Harada, Masataka ^a   Yoshida, Tatsusada ^a   Chuman, Hiroshi ^a  

^a UNIVERSITY OF TOKUSHIMA   (Japan)

Author keywords

Benzenesulfonamide; Carbonic anhydrase; Dispersion interaction; Fragment molecular orbital (FMO); Hammett ; Hydrophobic constant ; Linear expression by representative energy terms (LERE); Quantitative structure activity relationship (QSAR)

Indexed keywords

ALKYL GROUP; BENZENESULFONAMIDE DERIVATIVE; CARBONATE DEHYDRATASE;

AB INITIO CALCULATION; ARTICLE; BINDING AFFINITY; CHEMICAL STRUCTURE; COMPLEX FORMATION; CORRELATION ANALYSIS; MOLECULAR INTERACTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

CARBONIC ANHYDRASES; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SULFONAMIDES; THERMODYNAMICS;

EID: 78650511670     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2010.11.050     Document Type: Article

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