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Natural product-likeness score and its applications in the drug discovery process

Natural product-likeness score and its applications in the drug discovery process Chemistry Central Journal Open Access Oral presentation Natural product-likeness score and its applications in the drug discovery process Peter Ertl*, S Roggo and A Schuffenhauer Address: Novartis Institutes for BioMedical Research, Basel, Switzerland Email: Peter Ertl* - peter.ertl@novartis.com * Corresponding author from 3rd German Conference on Chemoinformatics Goslar, Germany. 11-13 November 2007 Published: 26 March 2008 Chemistry Central Journal 2008, 2(Suppl 1):S2 doi:10.1186/1752-153X-2-S1-S2 <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/S2 © 2008 Ertl et al. Natural products (NPs) – i.e. secondary metabolites of plants or lower organisms - have been optimized in a very long natural selection process for optimal interactions with biological macromolecules. NPs are therefore an excellent source of validated substructures for the design of novel bioactive molecules. Indeed, many drugs in the current pharmacopeias are NPs, NP derivatives, or are of NP origin. Various cheminformatics techniques can provide useful help in design of new bioactive molecules by taking into account information extracted from structures of NPs. In this presentation we describe a method to calculate natu- ral product-likeness score http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Chemistry Central Journal Springer Journals

Natural product-likeness score and its applications in the drug discovery process

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Natural product-likeness score and its applications in the drug discovery process

Abstract

Chemistry Central Journal Open Access Oral presentation Natural product-likeness score and its applications in the drug discovery process Peter Ertl*, S Roggo and A Schuffenhauer Address: Novartis Institutes for BioMedical Research, Basel, Switzerland Email: Peter Ertl* - peter.ertl@novartis.com * Corresponding author from 3rd German Conference on Chemoinformatics Goslar, Germany. 11-13 November 2007 Published: 26 March 2008 Chemistry Central Journal 2008, 2(Suppl 1):S2...
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References (1)

Publisher
Springer Journals
Copyright
Copyright © 2008 by Ertl et al.
Subject
Chemistry; Chemistry/Food Science, general
eISSN
1752-153X
DOI
10.1186/1752-153X-2-S1-S2
Publisher site
See Article on Publisher Site

Abstract

Chemistry Central Journal Open Access Oral presentation Natural product-likeness score and its applications in the drug discovery process Peter Ertl*, S Roggo and A Schuffenhauer Address: Novartis Institutes for BioMedical Research, Basel, Switzerland Email: Peter Ertl* - peter.ertl@novartis.com * Corresponding author from 3rd German Conference on Chemoinformatics Goslar, Germany. 11-13 November 2007 Published: 26 March 2008 Chemistry Central Journal 2008, 2(Suppl 1):S2 doi:10.1186/1752-153X-2-S1-S2 <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/S2 © 2008 Ertl et al. Natural products (NPs) – i.e. secondary metabolites of plants or lower organisms - have been optimized in a very long natural selection process for optimal interactions with biological macromolecules. NPs are therefore an excellent source of validated substructures for the design of novel bioactive molecules. Indeed, many drugs in the current pharmacopeias are NPs, NP derivatives, or are of NP origin. Various cheminformatics techniques can provide useful help in design of new bioactive molecules by taking into account information extracted from structures of NPs. In this presentation we describe a method to calculate natu- ral product-likeness score

Journal

Chemistry Central Journal – Springer Journals

Published: Mar 26, 2008

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