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Selectivity Challenges in Docking Screens for GPCR Targets and Antitargets

[Image: see text] To investigate large library docking’s ability to find molecules with joint activity against on-targets and selectivity versus antitargets, the dopamine D(2) and serotonin 5-HT(2A) receptors were targeted, seeking selectivity against the histamine H(1) receptor. In a second campaig...

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Pubblicato in:J Med Chem
Autori principali: Weiss, Dahlia R., Karpiak, Joel, Huang, Xi-Ping, Sassano, Maria F., Lyu, Jiankun, Roth, Bryan L., Shoichet, Brian K.
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Chemical Society 2018
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC6105036/
https://ncbi.nlm.nih.gov/pubmed/29990431
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jmedchem.8b00718
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