Structure-based virtual screening toward the discovery of novel inhibitors for impeding the protein-protein interaction between HIV-1 integrase and human lens epithelium-derived growth factor (LEDGF/p75).
J Biomol Struct Dyn
; 36(12): 3199-3217, 2018 Sep.
Article
en En
| MEDLINE
| ID: mdl-28948865
Palabras clave
ADME Absorption, Distribution, Metabolism, Excretion; AIDS; AIDS Acquired immunodeficiency syndrome; CCD catalytic core domain; CNS Central Nervous System; DFT Density Functional Theory; HIV-1 integrase; IBD IN-binding domain; IFD Induced fit docking; IN Integrase; LEDGF/p75 lens epithelium-derived growth factor; LEDGINs lens epithelium-derived growth factor Integrase Inhibitor; MDS Molecular dynamics simulation; MM-GBSA Molecular Mechanics energies combined with the Generalized Born and Surface Area continuum solvation; PPI protein-protein interaction; VS Virtual screening; human LEDGF/p75; molecular docking and simulation; proteinprotein interaction; virtual screening
Texto completo:
1
Colección:
01-internacional
Base de datos:
MEDLINE
Asunto principal:
Factores de Transcripción
/
Infecciones por VIH
/
Integrasa de VIH
/
Proteínas Adaptadoras Transductoras de Señales
/
Inhibidores Enzimáticos
Tipo de estudio:
Diagnostic_studies
/
Prognostic_studies
/
Screening_studies
Límite:
Humans
Idioma:
En
Revista:
J Biomol Struct Dyn
Año:
2018
Tipo del documento:
Article
País de afiliación:
India
