title: Structure-based design, synthesis and biological evaluation of new N-carboxyphenylpyrrole derivatives as HIV fusion inhibitors targeting gp41.
abstract: A new series of N-carboxyphenylpyrrole ligands were designed using GeometryFit based on an X-ray crystal structure of gp41. The synthesized ligands showed significant inhibitory activities against HIV gp41 6-helix bundle formation, HIV-1 mediated cell-cell fusion and HIV-1 replication.
authors.affiliation: State Key Laboratory of Respiratory Diseases, Guangzhou Institute of Biomedicine and Health, The Chinese Academy of Sciences, Guangzhou 510663, China.
authors.forename: Yong
authors.initials: Y
authors.lastname: Wang
authors.forename: Hong
authors.initials: H
authors.lastname: Lu
authors.forename: Qiang
authors.initials: Q
authors.lastname: Zhu
authors.forename: Shibo
authors.initials: S
authors.lastname: Jiang
authors.forename: Yun
authors.initials: Y
authors.lastname: Liao
mesh_terms: D019380:Anti-HIV Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D001665:Binding Sites; D018360:Crystallography, X-Ray; D015195:Drug Design; D015700:HIV Envelope Protein gp41 / Q000737:chemistry* / Q000378:metabolism; D023581:HIV Fusion Inhibitors / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D006801:Humans; D011485:Protein Binding; D017433:Protein Structure, Secondary; D011758:Pyrroles / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D013816:Thermodynamics
chemical_list: D019380:Anti-HIV Agents; D015700:HIV Envelope Protein gp41; D023581:HIV Fusion Inhibitors; D011758:Pyrroles