Integrated Computational Tools for Identification of CCR5 Antagonists as Potential HIV-1 Entry Inhibitors: Homology Modeling, Virtual Screening, Molecular Dynamics Simulations and 3D QSAR Analysis

Using integrated in-silico computational techniques, including homology modeling, structure-based and pharmacophore-based virtual screening, molecular dynamic simulations, per-residue energy decomposition analysis and atom-based 3D-QSAR analysis, we proposed ten novel compounds as potential CCR5-dep...

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Detalles Bibliográficos
Autores principales: Moonsamy, Suri, Dash, Radha Charan, Soliman, Mahmoud E. S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2014
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6270745/
https://www.ncbi.nlm.nih.gov/pubmed/24762964
http://dx.doi.org/10.3390/molecules19045243

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6270745/
https://www.ncbi.nlm.nih.gov/pubmed/24762964
http://dx.doi.org/10.3390/molecules19045243

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