Synthesis, in vitro evaluation, and docking studies of novel chromone derivatives as HIV-1 protease inhibitor

Autor:	Narumol Phosrithong, Chanpen Wiwat, Jiraporn Ungwitayatorn, Patcharawee Nunthanavanit, Weerasak Samee
Rok vydání:	2011
Předmět:	Protease biology Stereochemistry medicine.medical_treatment Organic Chemistry In vitro Analytical Chemistry Inorganic Chemistry chemistry.chemical_compound chemistry HIV-1 protease Docking (molecular) Chromone medicine biology.protein Stop time Hplc method Spectroscopy
Zdroj:	Journal of Molecular Structure. 1001:152-161
ISSN:	0022-2860
Popis:	Novel chromone derivatives with a benzopyran-4-one scaffold have been prepared by the one-pot cyclization reaction. The in vitro inhibitory activity of these new compounds towards HIV-1 protease have been evaluated using stop time HPLC method as the preliminary screening. The most potent compound, 7,8-dihydroxy-2-(3′-trifluoromethyl phenyl)-3-(3″-trifluoromethylbenzoyl)chromone (32), showed IC50 = 0.34 μM. The molecular docking study supported results from experimental activity testing and also provided structure–activity relationship of this series.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::5fe1ea5cd75cd6362f24309f5908a123 https://doi.org/10.1016/j.molstruc.2011.06.035 Zobrazit plný text záznamu Full Text from ScienceDirect