Sulfonamide Based β-Carbonic Anhydrase Inhibitors: 2D QSAR Study
نویسندگان
چکیده
منابع مشابه
Some QSAR Studies for a Group of Sulfonamide Schiff Base as Carbonic Anhydrase CA II Inhibitors
In the present study, quantitative structure-activity-relationship (QSAR) study on a group of sulfonamide Schiff-base inhibitors of Carbonic Anhydrase (CA) enzyme has been carried out using Codessa Pro methodology and software. Linear regression QSAR models of the biological activity (Ki) of 38 inhibitors of carbonic anhydrase CA-II isozyme were established with 12 different molecular descripto...
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Microcalorimetry is an excellent method of determining the thermodynamics of ligand–protein binding in solution, because the signal being measured is the observed binding enthalpy (Db-obsH [Editors’ note: this term can also be written DHobs or DbHobs as seen elsewhere in this book]), which is free of any model assumptions. The affinity (DbG) can be computed from the shape of a binding curve, an...
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A new series of aromatic and heterocyclic sulfonamides, including six new derivatives, 2-(3-cyclohexene-1-carbamido)-1,3,4-thiadiazole-5-sulfonamide (CCTS), 4-(3-cyclohexene-1-carbamido) methyl-benzenesulfonamide (CCBS), 2-(9-octadecenoylamido)-1,3,4-thiadiazole-5-sulfonamide (ODTS), 2-(4,7,10-trioxa-tetradecanoylamido)-1,3,4-thiadiazole-5-sulfonamide (TDTS), 2-(coumarine-3-carbamido)-1,3,4-thi...
متن کاملQuantitative Structure - Activity Relationships Study of Carbonic Anhydrase Inhibitors Using Logistic Regression Model
Binary Logistic Regression (BLR) has been developed as non-linear models to establish quantitative structure- activity relationships (QSAR) between structural descriptors and biochemical activity of carbonic anhydrase inhibitors. Using a training set consisted of 21 compounds with known ki values, the model was trained and tested to solve two-class problems as active or inactive on the basi...
متن کاملCombination of bovine carbonic anhydrase with a fluorescent sulfonamide.
Bovine erythrocyte carbonic anhydrase forms a highly fluorescent complex with 5-dimethylaminonapbthalene-lsulfonamide (DNSA). The binding, studied either by enhancement of ligand fluorescence or by the quenching of protein ultraviolet fluorescence, shows that only 1 mole of DNSA is bound per mole of protein; the dissociation constant at pH 7.4 is 2.5 X lo-’ M. The fluorescence of free DNSA in w...
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ژورنال
عنوان ژورنال: ISRN Medicinal Chemistry
سال: 2013
ISSN: 2314-629X
DOI: 10.1155/2013/107840