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Tricyclononene carboxamide derivatives as novel anti-HIV-1 agents
- Source :
-
European Journal of Medicinal Chemistry . Sep2010, Vol. 45 Issue 9, p4096-4103. 8p. - Publication Year :
- 2010
-
Abstract
- Abstract: By modifying the chemical structure of anti-orthopoxvirus compound ST-246, we designed and synthesized a series of tricyclononene carboxamide derivatives and tested their anti-HIV-1 activity and cytotoxicity. We found that benzoimidazol-containing compound 7g was highly effective in inhibiting HIV-1 R5 infection with an IC50 value of 0.41 μM and a selectivity index of 292, but it exhibited no significant inhibitory activity on HIV-1 reverse transcriptase, integrase and protease. CoMFA was used to analyze structure–activity relationships with good predictive power (r 2 = 0.921; q 2 = 0.582). Moreover, the CoMFA model showed that the length of the molecule, the amide, and the amine moieties all played crucial roles in anti-HIV activity. These results suggest that 7g may serve as a lead for the development of novel anti-HIV-1 therapies. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 02235234
- Volume :
- 45
- Issue :
- 9
- Database :
- Academic Search Index
- Journal :
- European Journal of Medicinal Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 52874331
- Full Text :
- https://doi.org/10.1016/j.ejmech.2010.05.070