Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects-Reference-Cited by-同舟云学术

Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects

Published:2015 Issue:1 Volume:6 Page:24-50
ISSN:2040-2503
Container-title:MedChemComm
language:en
Short-container-title:Med. Chem. Commun.

Author:

Cortés-Ciriano Isidro¹²³⁴⁵,Ain Qurrat Ul⁶⁷⁸⁹,Subramanian Vigneshwari¹⁰¹¹¹²¹³,Lenselink Eelke B.¹⁴¹⁵¹⁶¹⁷,Méndez-Lucio Oscar⁶⁷⁸⁹,IJzerman Adriaan P.¹⁴¹⁵¹⁶¹⁷,Wohlfahrt Gerd¹⁸¹⁹²⁰¹³,Prusis Peteris¹⁸¹⁹²⁰¹³,Malliavin Thérèse E.¹²³⁴⁵,van Westen Gerard J. P.²¹²²²³²⁴⁹,Bender Andreas⁶⁷⁸⁹

Affiliation:

1. Unité de Bioinformatique Structurale

2. Institut Pasteur and CNRS UMR 3825

3. Structural Biology and Chemistry Department

4. 75 724 Paris

5. France

6. Unilever Centre for Molecular Informatics

7. Department of Chemistry

8. CB2 1EW Cambridge

9. UK

10. Faculty of Pharmacy

11. University of Helsinki

12. FIN-00014 Helsinki

13. Finland

14. Division of Medicinal Chemistry

15. Leiden Academic Centre for Drug Research

16. Leiden

17. The Netherlands

18. Computer-Aided Drug Design

19. Orion Pharma

20. FIN-02101 Espoo

21. European Molecular Biology Laboratory

22. European Bioinformatics Institute

23. Wellcome Trust Genome Campus

24. Hinxton

Abstract

Proteochemometric (PCM) modelling is a computational method to model the bioactivity of multiple ligands against multiple related protein targets simultaneously.

Publisher

Royal Society of Chemistry (RSC)

Subject

Pharmaceutical Science,Biochemistry,Drug Discovery,Molecular Medicine,Pharmacology,Organic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/MD/C4MD00216D

Reference230 articles.

1. Cheminformatics approaches to analyze diversity in compound screening libraries

2. How to improve R&D productivity: the pharmaceutical industry's grand challenge

3. ChEMBL: a large-scale bioactivity database for drug discovery

4. PubChem's BioAssay Database

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