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

Internet

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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