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Abstract Title:

Discovery of small-molecule HIV-1 fusion and integrase inhibitors oleuropein and hydroxytyrosol: Part I. fusion [corrected] inhibition.

Abstract Source:

Biochem Biophys Res Commun. 2007 Mar 23;354(4):872-8. Epub 2007 Jan 24. PMID: 17275783

Abstract Author(s):

Sylvia Lee-Huang, Philip Lin Huang, Dawei Zhang, Jae Wook Lee, Ju Bao, Yongtao Sun, Young-Tae Chang, John Zhang, Paul Lee Huang

Abstract:

We have identified oleuropein (Ole) and hydroxytyrosol (HT) as a unique class of HIV-1 inhibitors from olive leaf extracts effective against viral fusion and integration. We used molecular docking simulation to study the interactions of Ole and HT with viral targets. We find that Ole and HT bind to the conserved hydrophobic pocket on the surface of the HIV-gp41 fusion domain by hydrogen bonds with Q577 and hydrophobic interactions with I573, G572, and L568 on the gp41 N-terminal heptad repeat peptide N36, interfering with formation of the gp41 fusion-active core. To test and confirm modeling predications, we examined the effect of Ole and HT on HIV-1 fusion complex formation using native polyacrylamide gel electrophoresis and circular dichroism spectroscopy. Ole and HT exhibit dose-dependent inhibition on HIV-1 fusion core formation with EC(50)s of 66-58nM, with no detectable toxicity. Our findings on effects of HIV-1 integrase are reported in the subsequent article.

Study Type : In Vitro Study

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Sayer Ji
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