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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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| Glavni autori: | , , , , |
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| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
2012
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| Teme: | |
| Online pristup: | 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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