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Protein structure-based drug design: applications, limitations and future developments

Protein structure-based drug design: applications, limitations and future developments Chemistry Central Journal Open Access Oral presentation Protein structure-based drug design: applications, limitations and future developments Alexander Hillisch Address: Bayer HealthCare AG, Director, Medicinal Chemistry, 40296 Wuppertal, Germany Email: Alexander Hillisch - alexander.hillisch@bayerhealthcare.com from 3rd German Conference on Chemoinformatics Goslar, Germany. 11-13 November 2007 Published: 26 March 2008 Chemistry Central Journal 2008, 2(Suppl 1):S15 doi:10.1186/1752-153X-2-S1-S15 <supplement> <title> <p>3rd German Conference on Chemoinformatics: 21. CIC-Workshop</p> </title> <note>Meeting abstracts - A single PDF containing all abstracts in this Supplement is available <a href="http://www.biomedcentral.com/content/files/pdf/1752-153X-2-S1-full.pdf">here</a>.</note> <url>http://www.biomedcentral.com/content/pdf/1752-153X-2-S1-info.pdf</url> </supplement> This abstract is available from: http://www.journal.chemistrycentral.com/content/2/S1/S15 © 2008 Hillisch Protein structure-based drug design has been contributing to the drug discovery process since the early 1990s. Struc- tural knowledge on the exact interactions of drugs with their target proteins has been applied mainly to predict potency changes of chemically modified lead com- pounds. With the 3D-structural information available today, addi- tional aspects of the drug discovery process become pre- dictable. Target-based virtual screening is being applied to identify new unexpected lead structures. Selectivity of compounds between homologous or orthologous pro- teins can be predicted, offering new possibilities to design selective compounds or predict the suitability of animal models for pharmacodynamic studies. Also the number of x-ray structures http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Chemistry Central Journal Springer Journals

Protein structure-based drug design: applications, limitations and future developments

Hillisch, Alexander
Chemistry Central Journal , Volume 2 (1) – Mar 26, 2008
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Protein structure-based drug design: applications, limitations and future developments

Abstract

Chemistry Central Journal Open Access Oral presentation Protein structure-based drug design: applications, limitations and future developments Alexander Hillisch Address: Bayer HealthCare AG, Director, Medicinal Chemistry, 40296 Wuppertal, Germany Email: Alexander Hillisch - alexander.hillisch@bayerhealthcare.com from 3rd German Conference on Chemoinformatics Goslar, Germany. 11-13 November 2007 Published: 26 March 2008 Chemistry Central Journal 2008, 2(Suppl 1):S15...
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Publisher
Springer Journals
Copyright
Copyright © 2008 by Hillisch
Subject
Chemistry; Chemistry/Food Science, general
eISSN
1752-153X
DOI
10.1186/1752-153X-2-S1-S15
Publisher site
See Article on Publisher Site

Abstract

Chemistry Central Journal Open Access Oral presentation Protein structure-based drug design: applications, limitations and future developments Alexander Hillisch Address: Bayer HealthCare AG, Director, Medicinal Chemistry, 40296 Wuppertal, Germany Email: Alexander Hillisch - alexander.hillisch@bayerhealthcare.com from 3rd German Conference on Chemoinformatics Goslar, Germany. 11-13 November 2007 Published: 26 March 2008 Chemistry Central Journal 2008, 2(Suppl 1):S15 doi:10.1186/1752-153X-2-S1-S15 <supplement> <title> <p>3rd German Conference on Chemoinformatics: 21. CIC-Workshop</p> </title> <note>Meeting abstracts - A single PDF containing all abstracts in this Supplement is available <a href="http://www.biomedcentral.com/content/files/pdf/1752-153X-2-S1-full.pdf">here</a>.</note> <url>http://www.biomedcentral.com/content/pdf/1752-153X-2-S1-info.pdf</url> </supplement> This abstract is available from: http://www.journal.chemistrycentral.com/content/2/S1/S15 © 2008 Hillisch Protein structure-based drug design has been contributing to the drug discovery process since the early 1990s. Struc- tural knowledge on the exact interactions of drugs with their target proteins has been applied mainly to predict potency changes of chemically modified lead com- pounds. With the 3D-structural information available today, addi- tional aspects of the drug discovery process become pre- dictable. Target-based virtual screening is being applied to identify new unexpected lead structures. Selectivity of compounds between homologous or orthologous pro- teins can be predicted, offering new possibilities to design selective compounds or predict the suitability of animal models for pharmacodynamic studies. Also the number of x-ray structures

Journal

Chemistry Central Journal – Springer Journals

Published: Mar 26, 2008

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