title: SAR and molecular mechanism study of novel acylhydrazone compounds targeting HIV-1 CA.
abstract: We synthesized a series of acylhydrazone compounds bearing naturally occurring amino acids' side chains as HIV assembly inhibitors. Biological evaluation indicated that the compounds had anti-SIV and capsid assembly inhibitory activities. The structure-activity relationship (SAR) study showed that compounds bearing proper aromatic side chains had potential antiviral activities. The molecular modeling experiments revealed the molecular mechanism that they could bind to CA in the same manner as CAP-1 and occupy two more grooves.
authors.affiliation: State Key Laboratory of Natural and Biomimetic Drugs, Peking University, PO Box 261, Beijing 100191, China.
authors.forename: Yinxue
authors.initials: Y
authors.lastname: Jin
authors.affiliation: State Key Laboratory of Natural and Biomimetic Drugs, Peking University, PO Box 261, Beijing 100191, China.
authors.forename: Zhiwu
authors.initials: Z
authors.lastname: Tan
authors.affiliation: State Key Laboratory of Natural and Biomimetic Drugs, Peking University, PO Box 261, Beijing 100191, China.
authors.forename: Meizi
authors.initials: M
authors.lastname: He
authors.affiliation: State Key Laboratory of Natural and Biomimetic Drugs, Peking University, PO Box 261, Beijing 100191, China.
authors.forename: Baohe
authors.initials: B
authors.lastname: Tian
authors.affiliation: Center for Biologics Evaluation and Research, Food and Drug Administration, Bethesda, MD 20892, USA.
authors.forename: Shixing
authors.initials: S
authors.lastname: Tang
authors.affiliation: Center for Biologics Evaluation and Research, Food and Drug Administration, Bethesda, MD 20892, USA.
authors.forename: Indira
authors.initials: I
authors.lastname: Hewlett
authors.affiliation: State Key Laboratory of Natural and Biomimetic Drugs, Peking University, PO Box 261, Beijing 100191, China.
authors.forename: Ming
authors.initials: M
authors.lastname: Yang
mesh_terms: D000998:Antiviral Agents / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D018360:Crystallography, X-Ray; D015497:HIV-1 / Q000187:drug effects*; D006835:Hydrazones / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D008826:Microbial Sensitivity Tests; D008958:Models, Molecular; D013329:Structure-Activity Relationship
chemical_list: D000998:Antiviral Agents; D006835:Hydrazones