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Footprint-based identification of viral entry inhibitors targeting HIVgp41

A targeted virtual screen to the N-helix hydrophobic pocket on HIVgp41 was performed using DOCK followed by re-ranking with a new footprint-based scoring function which employed native gp41 C-helix residues as a reference. Of ca. 500,000 small molecules screened, 115 were purchased, and 7 hits were...

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Detalhes bibliográficos
Main Authors: Holden, Patrick M., Kaur, Harmeet, Goyal, Rashi, Gochin, Miriam, Rizzo, Robert C.
Formato: Artigo
Idioma:Inglês
Publicado em: 2012
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3321075/
https://ncbi.nlm.nih.gov/pubmed/22425565
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bmcl.2012.02.017
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