Item type:Thesis, Open Access

Kristallstrukturanalyse und Entwicklung von Computermodellen zur Beschreibung der Selektivität von Enzymen am Beispiel der Carboanhydrase

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Date

2004-09-14

Authors

Publisher

Philipps-Universität Marburg
DOI

Supervisors

Abstract

To minimize side effects in the drug design process the development of selective inhibitors is very important. Here selective 3D QSAR were generated that allow the extraction of physicochemical properties that are selective for carbonic anhydrase (CA) isozymes. On the other hand CA isozymes were successfully docked into CA II, compared with the poses in X-ray strcutures and the affinities of these compounds were predicted with the 3D QSAR models. The cross-reactivity of cyclooxygenase (COX)-2 inhibitors (valdecoxib, celecoxib) with CA was confirmed with affinity data and the X-ray structure of celecoxib in complex with CA II.

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Dates
Created: 2004Issued: 2004-09-14Updated: 2011-08-10
DOI
https://doi.org/10.17192/z2004.0515
Faculty
Fachbereich Pharmazie
Publisher
Philipps-Universität Marburg
Language
ger
Data types
DoctoralThesis
Keywords
Carbonic anhydraseQSARDrug designXray
DFG-subjects
CarboanhydraseKristallstrukturProstaglandinsynthaseDocking proteinStrukturverfeinerungArzneimitteldesignKriMolekulardesignQSAR
DDC-Numbers
610
License
https://rightsstatements.org/vocab/InC-NC/1.0/
URI
https://open.uni-marburg.de/handle/10.17192/z2004.0515
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Weber, Alexander: Kristallstrukturanalyse und Entwicklung von Computermodellen zur Beschreibung der Selektivität von Enzymen am Beispiel der Carboanhydrase. : Philipps-Universität Marburg 2004-09-14. DOI: https://doi.org/10.17192/z2004.0515.

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