title: Virtual-screening targeting Human Immunodeficiency Virus type 1 integrase-lens epithelium-derived growth factor/p75 interaction for drug development.
abstract: Three integrase (IN) inhibitors have been approved by FDA for clinical treatment of Human Immunodeficiency Virus (HIV) infection. This stimulates more researchers to focus their studies on this target for anti-HIV drug development. Three steps regarding of IN activity have been validated for inhibitor discovery: strand transfer, 3'-terminal processing, and IN-lens epithelium-derived growth factor (LEDGF)/p75 interaction. Among them, IN-LEDGF/p75 interaction is a new target validated in recent years. Emergence of drug-resistant virus strains makes this target appealing to pharmacologists. Compared with the traditional screening methods such as AlphaScreen and cell-based screening developed for IN inhibitor discovery, virtual screening is a powerful technique in modern drug discovery. Here we summarized the recent advances of virtual-screening targeting IN-LEDFG/p75 interaction. The combined application of virtual screening and experiments in drug discovery against IN-LEDFG/p75 interaction sheds light on anti-HIV research and drug discovery.
authors.affiliation: Department of Immunology, Zunyi Medical University , Zunyi , China and.
authors.forename: Wan-Gang
authors.initials: WG
authors.lastname: Gu
authors.forename: Bai-Nan
authors.initials: BN
authors.lastname: Liu
authors.forename: Jun-Fa
authors.initials: JF
authors.lastname: Yuan
mesh_terms: D019295:Computational Biology; D055808:Drug Discovery / Q000379:methods*; D019427:HIV Integrase / Q000737:chemistry / Q000378:metabolism*; D019428:HIV Integrase Inhibitors / Q000494:pharmacology*; D015497:HIV-1 / Q000187:drug effects* / Q000201:enzymology; D057166:High-Throughput Screening Assays; D006801:Humans; D036341:Intercellular Signaling Peptides and Proteins / Q000737:chemistry / Q000378:metabolism*; D008024:Ligands; D011485:Protein Binding; D011487:Protein Conformation
chemical_list: D019428:HIV Integrase Inhibitors; D036341:Intercellular Signaling Peptides and Proteins; D008024:Ligands; C119380:lens epithelium-derived growth factor; D019427:HIV Integrase
keywords: Drug targeting; high-throughput drug screening; prodrug; targeting