Novel use of chemical shift in NMR as molecular descriptor: A first report on modeling carbonic anhydrase inhibitory activity and related parameters

Bioorganic and Medicinal Chemistry Letters

Volumn 15, Issue 4, 2005, Pages 931-936

  Khadikar, Padmakar V ^a   Sharma, Vimukta ^b   Karmarkar, Sneha ^a   Supuran, Claudiu T ^c  

^a Laxmi Pest and Fumigation Pvt Ltd   (India)

^b Department of Pharmacy   (India)

^c UNIVERSITY OF FLORENCE   (Italy)

Author keywords

Carbonic anhydrase inhibitors; Distance based topological indices; Diuretic activity; Lipophilicity; NMR chemical shift; Regression analysis

Indexed keywords

BENZENE DERIVATIVE; CARBONATE DEHYDRATASE INHIBITOR; DIOXANE; PROTON; SOLVENT; SULFONAMIDE;

ARTICLE; DIURESIS; DRUG ACTIVITY; ENZYME INHIBITION; LIPOPHILICITY; MATHEMATICAL ANALYSIS; MOLECULAR MODEL; PROTON NUCLEAR MAGNETIC RESONANCE; REGRESSION ANALYSIS;

EID: 16244422643     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2004.12.057     Document Type: Article

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