SPECTROSCOPIC AND MOLECULAR DOCKING STUDIES ON THE INTERACTION OF DIMETRIDAZOLE WITH HUMAN SERUM ALBUMIN

Dimetridazole (DMZ) is widely used for the therapeutic treatment of farmed animals and is suspected of being human carcinogens and mutagens. The interaction between DMZ and human serum albumin (HSA) was investigated systematically by fluorescence spectroscopy, synchronous fluorescence, three-dimensi...

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Autores principales:	ZHANG,WANJU, WANG,FANG, XIONG,XUJIE, GE,YUSHU, LIU,YI
Lenguaje:	English
Publicado:	Sociedad Chilena de Química 2013
Materias:	dimetridazole human serum albumin fluorescence quenching molecular docking interaction
Acceso en línea:	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072013000200016
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spelling	oai:scielo:S0717-970720130002000162014-09-09SPECTROSCOPIC AND MOLECULAR DOCKING STUDIES ON THE INTERACTION OF DIMETRIDAZOLE WITH HUMAN SERUM ALBUMINZHANG,WANJUWANG,FANGXIONG,XUJIEGE,YUSHULIU,YI dimetridazole human serum albumin fluorescence quenching molecular docking interaction Dimetridazole (DMZ) is widely used for the therapeutic treatment of farmed animals and is suspected of being human carcinogens and mutagens. The interaction between DMZ and human serum albumin (HSA) was investigated systematically by fluorescence spectroscopy, synchronous fluorescence, three-dimensional fluorescence, CD spectroscopy, UV-vis absorption spectroscopy and molecular docking study. The results indicated that the probable quenching mechanism of HSA by DMZ was dynamic quenching. The corresponding thermodynamic parameters ΔH, ΔS and ΔG were calculated according to Van't Hoff equation. The results (ΔH = 65.10 kJ mol¹ and ΔS = 295.65 J mol¹ K¹) indicated that the driving force between DMZ and HSA was mainly typical hydrophobic interaction. The conformation changes in the interaction were studied by synchronous fluorescence, CD spectroscopy and three-dimensional fluorescence spectra. The results revealed that the microenvironment and conformation of HSA has been changed. Molecular modeling study further confirmed the binding mode obtained by experimental study.info:eu-repo/semantics/openAccessSociedad Chilena de QuímicaJournal of the Chilean Chemical Society v.58 n.2 20132013-01-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072013000200016en10.4067/S0717-97072013000200016
institution	Scielo Chile
collection	Scielo Chile
language	English
topic	dimetridazole human serum albumin fluorescence quenching molecular docking interaction
spellingShingle	dimetridazole human serum albumin fluorescence quenching molecular docking interaction ZHANG,WANJU WANG,FANG XIONG,XUJIE GE,YUSHU LIU,YI SPECTROSCOPIC AND MOLECULAR DOCKING STUDIES ON THE INTERACTION OF DIMETRIDAZOLE WITH HUMAN SERUM ALBUMIN
description	Dimetridazole (DMZ) is widely used for the therapeutic treatment of farmed animals and is suspected of being human carcinogens and mutagens. The interaction between DMZ and human serum albumin (HSA) was investigated systematically by fluorescence spectroscopy, synchronous fluorescence, three-dimensional fluorescence, CD spectroscopy, UV-vis absorption spectroscopy and molecular docking study. The results indicated that the probable quenching mechanism of HSA by DMZ was dynamic quenching. The corresponding thermodynamic parameters ΔH, ΔS and ΔG were calculated according to Van't Hoff equation. The results (ΔH = 65.10 kJ mol¹ and ΔS = 295.65 J mol¹ K¹) indicated that the driving force between DMZ and HSA was mainly typical hydrophobic interaction. The conformation changes in the interaction were studied by synchronous fluorescence, CD spectroscopy and three-dimensional fluorescence spectra. The results revealed that the microenvironment and conformation of HSA has been changed. Molecular modeling study further confirmed the binding mode obtained by experimental study.
author	ZHANG,WANJU WANG,FANG XIONG,XUJIE GE,YUSHU LIU,YI
author_facet	ZHANG,WANJU WANG,FANG XIONG,XUJIE GE,YUSHU LIU,YI
author_sort	ZHANG,WANJU
title	SPECTROSCOPIC AND MOLECULAR DOCKING STUDIES ON THE INTERACTION OF DIMETRIDAZOLE WITH HUMAN SERUM ALBUMIN
title_short	SPECTROSCOPIC AND MOLECULAR DOCKING STUDIES ON THE INTERACTION OF DIMETRIDAZOLE WITH HUMAN SERUM ALBUMIN
title_full	SPECTROSCOPIC AND MOLECULAR DOCKING STUDIES ON THE INTERACTION OF DIMETRIDAZOLE WITH HUMAN SERUM ALBUMIN
title_fullStr	SPECTROSCOPIC AND MOLECULAR DOCKING STUDIES ON THE INTERACTION OF DIMETRIDAZOLE WITH HUMAN SERUM ALBUMIN
title_full_unstemmed	SPECTROSCOPIC AND MOLECULAR DOCKING STUDIES ON THE INTERACTION OF DIMETRIDAZOLE WITH HUMAN SERUM ALBUMIN
title_sort	spectroscopic and molecular docking studies on the interaction of dimetridazole with human serum albumin
publisher	Sociedad Chilena de Química
publishDate	2013
url	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072013000200016
work_keys_str_mv	AT zhangwanju spectroscopicandmoleculardockingstudiesontheinteractionofdimetridazolewithhumanserumalbumin AT wangfang spectroscopicandmoleculardockingstudiesontheinteractionofdimetridazolewithhumanserumalbumin AT xiongxujie spectroscopicandmoleculardockingstudiesontheinteractionofdimetridazolewithhumanserumalbumin AT geyushu spectroscopicandmoleculardockingstudiesontheinteractionofdimetridazolewithhumanserumalbumin AT liuyi spectroscopicandmoleculardockingstudiesontheinteractionofdimetridazolewithhumanserumalbumin
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SPECTROSCOPIC AND MOLECULAR DOCKING STUDIES ON THE INTERACTION OF DIMETRIDAZOLE WITH HUMAN SERUM ALBUMIN

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