Thermodynamic, kinetic, and structural parameterization of human carbonic anhydrase interactions toward enhanced inhibitor design.

Linkuviene, Vaida; Zubriene, Asta; Manakova, Elena; Petrauskas, Vytautas; Baranauskiene, Lina; Zaksauskas, Audrius; Smirnov, Alexey; Grazulis, Saulius; Ladbury, John E; Matulis, Daumantas

Linkuviene, Vaida; Zubriene, Asta; Manakova, Elena; Petrauskas, Vytautas; Baranauskiene, Lina; Zaksauskas, Audrius; Smirnov, Alexey; Grazulis, Saulius; Ladbury, John E; Matulis, Daumantas.

Afiliação

Linkuviene V; Department of Biothermodynamics and Drug Design,Institute of Biotechnology, Life Sciences Center, Vilnius University,Sauletekio 7, 10257 Vilnius,Lithuania.
Zubriene A; Department of Biothermodynamics and Drug Design,Institute of Biotechnology, Life Sciences Center, Vilnius University,Sauletekio 7, 10257 Vilnius,Lithuania.
Manakova E; Department of Protein-DNA Interactions,Institute of Biotechnology, Life Sciences Center, Vilnius University,Sauletekio 7, 10257 Vilnius,Lithuania.
Petrauskas V; Department of Biothermodynamics and Drug Design,Institute of Biotechnology, Life Sciences Center, Vilnius University,Sauletekio 7, 10257 Vilnius,Lithuania.
Baranauskiene L; Department of Biothermodynamics and Drug Design,Institute of Biotechnology, Life Sciences Center, Vilnius University,Sauletekio 7, 10257 Vilnius,Lithuania.
Zaksauskas A; Department of Biothermodynamics and Drug Design,Institute of Biotechnology, Life Sciences Center, Vilnius University,Sauletekio 7, 10257 Vilnius,Lithuania.
Smirnov A; Department of Biothermodynamics and Drug Design,Institute of Biotechnology, Life Sciences Center, Vilnius University,Sauletekio 7, 10257 Vilnius,Lithuania.
Grazulis S; Department of Protein-DNA Interactions,Institute of Biotechnology, Life Sciences Center, Vilnius University,Sauletekio 7, 10257 Vilnius,Lithuania.
Ladbury JE; Department of Molecular and Cell Biology and Astbury Centre for Structural Biology,University of Leeds,Leeds,UK.
Matulis D; Department of Biothermodynamics and Drug Design,Institute of Biotechnology, Life Sciences Center, Vilnius University,Sauletekio 7, 10257 Vilnius,Lithuania.

Q Rev Biophys ; 51: e10, 2018 01.

Article em En | MEDLINE | ID: mdl-30912486

Assuntos

Antineoplásicos/química; Inibidores da Anidrase Carbônica/química; Anidrases Carbônicas/química; Simulação por Computador; Bicarbonatos/química; Domínio Catalítico; Estabilidade Enzimática; Humanos; Cinética; Estrutura Molecular; Isoformas de Proteínas/química; Sulfonamidas/química; Termodinâmica

Palavras-chave

AAZ; ACTAZ); ANS 1; AZM acetazolamide (also commonly abbreviated as AZA; CA carbonic anhydrase; DSC differential scanning calorimetry; DSF; DSF differential scanning fluorimetry; EZA ethoxzolamide; FPSA fluorescent (fluorescence-based) pressure shift assay; FTSA fluorescent (fluorescence-based) thermal shift assay; ITC isothermal titration calorimetry; MZM methazolamide (also commonly abbreviated as METHZ); NA not available (attempted but could not be conclusively determined); ND not determined; PressureFluor; SFA stopped-flow assay; SPR surface plasmon resonance; SULFA sulfanilamide; TFS trifluoromethanesulfonamide (also commonly abbreviated as TFMSA); alternatively termed ThermoFluor or differential scanning fluorimetry; int intrinsic; obs observed; 8-anilinonaphthalene sulfonate; Carbonic anhydrase; X-ray crystallography; drug design; kinetics; proteinligand binding; thermodynamics

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Simulação por Computador / Inibidores da Anidrase Carbônica / Anidrases Carbônicas / Antineoplásicos Limite: Humans Idioma: En Ano de publicação: 2018 Tipo de documento: Article

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