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In silico studies of diarylpyridine derivatives as novel HIV-1 NNRTIs using docking-based 3D-QSAR, molecular dynamics, and pharmacophore modeling approaches

A series of novel diarylpyridine derivatives has recently been identified as HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs), and most of them exhibited potent activities against HIV-1 strains, with EC(50) values in the low nanomolar range. However, the three-dimensional quantitative...

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Detalles Bibliográficos
Autores principales: Wan, Youlan, Tian, Yafeng, Wang, Wenjie, Gu, Shuangxi, Ju, Xiulian, Liu, Genyan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9091378/
https://www.ncbi.nlm.nih.gov/pubmed/35557880
http://dx.doi.org/10.1039/c8ra06475j

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