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Anti-HIV-1 integrase compounds from Dioscorea bulbifera and molecular docking study
Prapaporn Chaniad1, Chatchai Wattanapiromsakul1,2, Somsak Pianwanit3
1a Department of Pharmacognosy and Pharmaceutical Botany, Faculty of Pharmaceutical Sciences , Prince of Songkla University , Songkhla , Thailand ;
Pharmaceutical Biology
|February 12, 2016
Summary
Dioscorea bulbifera compounds show potent anti-HIV-1 integrase activity. Myricetin demonstrated the strongest inhibition, with molecular docking predicting favorable interactions with the enzyme
Area of Science:
- Natural Product Chemistry
- Medicinal Chemistry
- Virology
Background:
- Dioscorea bulbifera L. is used in traditional Thai medicine.
- Natural products are a vital source for developing novel HIV-1 integrase (IN) inhibitors.
Purpose of the Study:
- To isolate compounds from Dioscorea bulbifera.
- To evaluate their anti-HIV-1 IN activity.
- To predict molecular interactions with HIV-1 IN.
Main Methods:
- Ethyl acetate and water fractions of Dioscorea bulbifera bulbils were tested.
- Anti-HIV-1 IN activity was assessed using the multiplate integration assay (MIA).
- Molecular docking was employed to investigate compound-IN interactions.
Main Results:
- Seven compounds were isolated; three are novel to this plant.
- Myricetin (4) showed the most potent activity (IC50 = 3.15 μM).
- Compounds 3, 4, 6, and 7 exhibited significant anti-HIV-1 IN activity and favorable binding affinities.
Conclusions:
- Dioscorea bulbifera bulbils yield compounds with potent anti-HIV-1 IN activity.
- Myricetin and other isolated compounds show promise as HIV-1 IN inhibitors.
- Molecular docking confirms interactions with key amino acid residues in the IN active site.
