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Study the interactions between human serum albumin and two antifungal drugs: Fluconazole and its analogue DTP
Zhang S.-L.2; Yao H.2; Wang C.2; Tam K.Y.2
2014-11-01
Source PublicationBioorganic and Medicinal Chemistry Letters
ISSN14643405 0960894X
Volume24Issue:21Pages:4963-4968
Abstract

Binding affinities of fluconazole and its analogue 2-(2,4-dichlorophenyl)-1,3-di(1H-1,2,4-triazol-yl)-2-propanol (DTP) to human serum albumin (HSA) were investigated under approximately human physiological conditions. The obtained result indicated that HSA could generate fluorescent quenching by fluconazole and DTP because of the formation of non-fluorescent ground-state complexes. Binding parameters calculated from the Stern-Volmer and the Scatchard equations showed that fluconazole and DTP bind to HSA with binding affinities of the order 104 L/mol. The thermodynamic parameters revealed that the binding was characterized by negative enthalpy and positive entropy changes, suggesting that the binding reaction was exothermic. Hydrogen bonds and hydrophobic interaction were found to be the predominant intermolecular forces stabilizing the drug-protein. The effect of metal ions on the binding constants of fluconazole-HSA complex suggested that the presence of Mg2+ and Zn2+ ions could decrease the free drug level and extend the half-life in the systematic circulation. Docking experiments revealed that fluconazole and DTP binds in HSA mainly by hydrophobic interaction with the possibility of hydrogen bonds formation between the drugs and the residues Arg 222, Lys 199 and Lys 195 in HSA.

KeywordBinding Affinity Fluconazole Fluorescence Spectrum Human Serum Albumin Molecular Docking
DOI10.1016/j.bmcl.2014.09.034
URLView the original
Indexed BySCI
Language英语
WOS Research AreaPharmacology & Pharmacy ; Chemistry
WOS SubjectChemistry, Medicinal ; Chemistry, Organic
WOS IDWOS:000343309800009
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Cited Times [WOS]:13   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionFaculty of Health Sciences
Affiliation1.XuZhou Medical University
2.Universidade de Macau
Recommended Citation
GB/T 7714
Zhang S.-L.,Yao H.,Wang C.,et al. Study the interactions between human serum albumin and two antifungal drugs: Fluconazole and its analogue DTP[J]. Bioorganic and Medicinal Chemistry Letters,2014,24(21):4963-4968.
APA Zhang S.-L.,Yao H.,Wang C.,&Tam K.Y..(2014).Study the interactions between human serum albumin and two antifungal drugs: Fluconazole and its analogue DTP.Bioorganic and Medicinal Chemistry Letters,24(21),4963-4968.
MLA Zhang S.-L.,et al."Study the interactions between human serum albumin and two antifungal drugs: Fluconazole and its analogue DTP".Bioorganic and Medicinal Chemistry Letters 24.21(2014):4963-4968.
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