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

Repository URI

https://www.repository.cam.ac.uk/handle/1810/246135

Repository DOI

Files

Cortes-Ciriano et al 2015 MedChemComm.pdf (1.87 MB)

Type

Article

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Authors

Cortés-Ciriano, I 
Ain, QU 
Subramanian, V 
Lenselink, EB 
Méndez-Lucio, O 
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Abstract

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

Description

Keywords

3404 Medicinal and Biomolecular Chemistry, 34 Chemical Sciences

Journal Title

MedChemComm

Conference Name

Journal ISSN

2040-2503
2040-2511

Volume Title

6

Publisher

Royal Society of Chemistry (RSC)

Publisher DOI

https://doi.org/10.1039/c4md00216d

Rights

http://www.rioxx.net/licenses/all-rights-reserved
Sponsorship
European Research Council (336159)
ICC thanks the Pasteur-Paris International PhD Program and Institut Pasteur Paris for funding. QUA thanks the Islamic Development Bank and Cambridge Commonwealth Trust for funding. VS thanks the Finnish National Doctoral Program in Informational and Structural Biology for organizing graduate studies and Helsinki University Research Foundation for funding. API and EBL thank the Dutch Research Council (NWO) for financial support (NWO-TOP #714.011.001). OML is grateful to CONACyT (No. 217442/312933) and Cambridge Overseas Trust for funding. TM thanks the Institut Pasteur Paris and CNRS for funding. GJPvW thanks EMBL (EIPOD) and Marie Curie (COFUND) for funding. AB thanks Unilever and the European Research Commission (Starting Grant ERC-2013-StG 336159 MIXTURE) for funding.

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Scholarly Works - Chemistry
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