| Title | Design, synthesis and biological evaluation of caffeoyl benzanilides as dual inhibitors of HIV integrase and CCR5 |
| Authors | Sun, Xuefeng Fan, Ningning Xu, Weisi Sun, Yixing Xie, Xin Guo, Ying Ma, Liying Liu, Junyi Wang, Xiaowei |
| Affiliation | Peking Univ, Sch Pharmaceut Sci, Dept Biol Chem, Beijing 100191, Peoples R China. Peking Univ, State Key Lab Nat & Biomimet Drugs, Beijing 100191, Peoples R China. Chinese Ctr Dis Control & Prevent, State Key Lab Infect Dis Prevent & Control, Collaborat Innovat Ctr Diag & Treatment Infect Di, Natl Ctr AIDS STD Control & Prevent, Beijing, Peoples R China. Peking Univ, Sch Pharmaceut Sci, Dept Biol Chem, Beijing 100191, Peoples R China. Liu, JY (reprint author), Peking Univ, State Key Lab Nat & Biomimet Drugs, Beijing 100191, Peoples R China. |
| Keywords | DERIVATIVES DISCOVERY |
| Issue Date | 2016 |
| Publisher | MEDCHEMCOMM |
| Citation | MEDCHEMCOMM.2016,7(10),2028-2032. |
| Abstract | Novel series of caffeoyl benzanilide compounds as dual inhibitors of HIV-1 CCR5/IN were designed and synthesized. The biological results indicated that the acetylated compounds with double bonds were reduced, especially compound 9a, which showed potential activity against HIV-1 CCR5 tropic viruses with an EC50 value of 4.85 mu M, as well as binding affinity with IN (K-D 2.4 mu M). Molecular modeling studies also suggested the possible binding mode of 9a with CCR5 and IN. These results indicated that 9a has the possibility of being a dual inhibitor of HIV-1. |
| URI | http://hdl.handle.net/20.500.11897/459221 |
| ISSN | 2040-2503 |
| DOI | 10.1039/c6md00311g |
| Indexed | SCI(E) |
| Appears in Collections: | 药学院 天然药物与仿生药物国家重点实验室 |
