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Pentacycloundecane lactam vs lactone norstatine type protease HIV inhibitors: binding energy calculations and DFT study

BACKGROUND: Novel pentacycloundecane (PCU)-lactone-CO-EAIS peptide inhibitors were designed, synthesized, and evaluated against wild-type C-South African (C-SA) HIV-1 protease. Three compounds are reported herein, two of which displayed IC(50) values of less than 1.00 μM. A comparative MM-PB(GB)SA b...

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Detalles Bibliográficos
Autores principales:	Honarparvar, Bahareh, Pawar, Sachin A, Alves, Cláudio Nahum, Lameira, Jerônimo, Maguire, Glenn EM, Silva, José Rogério A, Govender, Thavendran, Kruger, Hendrik G
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	BioMed Central 2015
Materias:	Research
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4387594/ https://www.ncbi.nlm.nih.gov/pubmed/25889635 http://dx.doi.org/10.1186/s12929-015-0115-5

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