26165-69-5Relevant academic research and scientific papers
ANDROGEN RECEPTOR ANTAGONISTS
-
Paragraph 0235-0236, (2019/08/26)
Compounds that inhibit the androgen receptor, pharmaceutical compositions comprising one or more of the compounds, as well as methods of treating cancer using such compounds are described.
Acyl pyrrole small molecule organic compound and its derivatives, their preparation and their use
-
Paragraph 0060-0063, (2017/08/24)
The invention discloses an acylpyrrole small-molecular organic compound having a structural formula (1) or pharmaceutically acceptable salts thereof, application of a pharmaceutical composition containing the acylpyrrole small-molecular organic compound o
Design, synthesis, and biological evaluation of N-carboxyphenylpyrrole derivatives as potent HIV fusion inhibitors targeting gp41
Liu, Kun,Lu, Hong,Hou, Ling,Qi, Zhi,Teixeira, Cátia,Barbault, Florent,Fan, Bo-Tao,Liu, Shuwen,Jiang, Shibo,Xie, Lan
experimental part, p. 7843 - 7854 (2009/11/30)
On the basis of the structures of small-molecule hits targeting the HIV-1 gp41, N-(4-carboxy-3-hydroxy)phenyl-2,5-dimethylpyrrole (2, NB-2), and N-(3-carboxy-4-chloro)phenylpyrrole (A1, NB-64), 42 N-carboxyphenylpyrrole derivatives in two categories (A and B series) were designed and synthesized. We found that 11 compounds exhibited promising anti-HIV-1 activity at micromolar level and their antiviral activity was correlated with their inhibitory activity on gp41 six-helix bundle formation, suggesting that these compounds block HIV fusion and entry by disrupting gp41 core formation. The structure-activity relationship and molecular docking analysis revealed that the carboxyl group could interact with either Arg579 or Lys574 to form salt bridges and two methyl groups on the pyrrole ring were favorable for interaction with the residues in gp41 pocket. The most active compound, N-(3-carboxy-4-hydroxy)phenyl-2,5-dimethylpyrrole (A12), partially occupied the deep hydrophobic pocket, suggesting that enlarging the molecular size of A12 could improve its binding affinity and anti-HIV-1 activity for further development as a small-molecule HIV fusion and entry inhibitor.
