Automated design of ligands to polypharmacological profiles

The clinical efficacy and safety of a drug is determined by its activity profile across multiple proteins in the proteome. However, designing drugs with a specific multi-target profile is both complex and difficult. Therefore methods to rationally design drugs a priori against profiles of multiple p...

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Autores principales: Besnard, Jérémy, Ruda, Gian Filippo, Setola, Vincent, Abecassis, Keren, Rodriguiz, Ramona M., Huang, Xi-Ping, Norval, Suzanne, Sassano, Maria F., Shin, Antony I., Webster, Lauren A., Simeons, Frederick R.C., Stojanovski, Laste, Prat, Annik, Seidah, Nabil G., Constam, Daniel B., Bickerton, G. Richard, Read, Kevin D., Wetsel, William C., Gilbert, Ian H., Roth, Bryan L., Hopkins, Andrew L.
Formato: Artigo
Lenguaje:Inglês
Publicado: 2012
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Article
Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC3653568/
https://ncbi.nlm.nih.gov/pubmed/23235874
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/nature11691
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