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Molecular docking study of lamellarin analogues and identification of potential inhibitors of HIV-1 integrase strand transfer complex by virtual screening
Molecular docking has been applied to elucidate the binding of lamellarin analogues with HIV-1 integrase strand transfer complex (PDB ID: 5U1C). The results suggest hydrogen bond interaction with residue Glu92 is key, and stabilisation by π−π stacking interactions with DNA base is chiefly influentia...
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| Publicado no: | Heliyon |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Elsevier
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6861579/ https://ncbi.nlm.nih.gov/pubmed/31763475 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.heliyon.2019.e02811 |
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