THE APPLICABILITY OF THE CRYSTAL STRUCTUREOF TERMOTOGAMARITIMA 4-a.- GLUCANOTRANSFERASEAS THE TEMPLATE FOR SULOCHRINAS a-GLUCOSIDASE INHIBITORS

ABSTRACT Interaction of sulochrin to active site of glucosidase enzyme of Termotoga maritime has been studied by employing docking method using Molecular Operating Environment (MOE), in comparison with those are reports of established inhibitor a-glucosidase such as acarbose, miglitol and voglibose,...

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Main Author:	Perpustakaan UGM, i-lib
Format:	Article NonPeerReviewed
Published:	[Yogyakarta] : Universitas Gadjah Mada 2009
Subjects:	Jurnal i-lib UGM
Online Access:	https://repository.ugm.ac.id/28043/ http://i-lib.ugm.ac.id/jurnal/download.php?dataId=11106
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Institution:	Universitas Gadjah Mada

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spelling	id-ugm-repo.280432014-06-18T00:24:19Z https://repository.ugm.ac.id/28043/ THE APPLICABILITY OF THE CRYSTAL STRUCTUREOF TERMOTOGAMARITIMA 4-a.- GLUCANOTRANSFERASEAS THE TEMPLATE FOR SULOCHRINAS a-GLUCOSIDASE INHIBITORS Perpustakaan UGM, i-lib Jurnal i-lib UGM ABSTRACT Interaction of sulochrin to active site of glucosidase enzyme of Termotoga maritime has been studied by employing docking method using Molecular Operating Environment (MOE), in comparison with those are reports of established inhibitor a-glucosidase such as acarbose, miglitol and voglibose, and salicinol, as reference compounds. The crystal structure T. maritima a-glucanotransferase (PDB code: 1LWJ) can be employed to serve as the template in the virtual screening of S. cerevisiae a-glucosidase. The comparison between the binding pocket residues of Thermotoga maritima a-glucanotransferase and Saccharomyces cerevisiae a-glucosidase show a high sequence identity and similarity. The result showed that sulochrin could be located in the binding pocket and formed some interactions with the binding residues. The ligands showed proper predicted binding energy (-6.74 - -4.13 kcaVmol) and predicted KI values (0.011 - 0.939 mM). Sulochrin has a possibility to serve as a lead compound in the development of new a-glucosidase inhibitor. Keywords: Docking, sulochrin, a-glucosidase Inhibitor, Thermotoga maritime a-glucotransferase, Saccharomyces cerevisiae a-glucosidase, MOE [Yogyakarta] : Universitas Gadjah Mada 2009 Article NonPeerReviewed Perpustakaan UGM, i-lib (2009) THE APPLICABILITY OF THE CRYSTAL STRUCTUREOF TERMOTOGAMARITIMA 4-a.- GLUCANOTRANSFERASEAS THE TEMPLATE FOR SULOCHRINAS a-GLUCOSIDASE INHIBITORS. Jurnal i-lib UGM. http://i-lib.ugm.ac.id/jurnal/download.php?dataId=11106
institution	Universitas Gadjah Mada
building	UGM Library
country	Indonesia
collection	Repository Civitas UGM
topic	Jurnal i-lib UGM
spellingShingle	Jurnal i-lib UGM Perpustakaan UGM, i-lib THE APPLICABILITY OF THE CRYSTAL STRUCTUREOF TERMOTOGAMARITIMA 4-a.- GLUCANOTRANSFERASEAS THE TEMPLATE FOR SULOCHRINAS a-GLUCOSIDASE INHIBITORS
description	ABSTRACT Interaction of sulochrin to active site of glucosidase enzyme of Termotoga maritime has been studied by employing docking method using Molecular Operating Environment (MOE), in comparison with those are reports of established inhibitor a-glucosidase such as acarbose, miglitol and voglibose, and salicinol, as reference compounds. The crystal structure T. maritima a-glucanotransferase (PDB code: 1LWJ) can be employed to serve as the template in the virtual screening of S. cerevisiae a-glucosidase. The comparison between the binding pocket residues of Thermotoga maritima a-glucanotransferase and Saccharomyces cerevisiae a-glucosidase show a high sequence identity and similarity. The result showed that sulochrin could be located in the binding pocket and formed some interactions with the binding residues. The ligands showed proper predicted binding energy (-6.74 - -4.13 kcaVmol) and predicted KI values (0.011 - 0.939 mM). Sulochrin has a possibility to serve as a lead compound in the development of new a-glucosidase inhibitor. Keywords: Docking, sulochrin, a-glucosidase Inhibitor, Thermotoga maritime a-glucotransferase, Saccharomyces cerevisiae a-glucosidase, MOE
format	Article NonPeerReviewed
author	Perpustakaan UGM, i-lib
author_facet	Perpustakaan UGM, i-lib
author_sort	Perpustakaan UGM, i-lib
title	THE APPLICABILITY OF THE CRYSTAL STRUCTUREOF TERMOTOGAMARITIMA 4-a.- GLUCANOTRANSFERASEAS THE TEMPLATE FOR SULOCHRINAS a-GLUCOSIDASE INHIBITORS
title_short	THE APPLICABILITY OF THE CRYSTAL STRUCTUREOF TERMOTOGAMARITIMA 4-a.- GLUCANOTRANSFERASEAS THE TEMPLATE FOR SULOCHRINAS a-GLUCOSIDASE INHIBITORS
title_full	THE APPLICABILITY OF THE CRYSTAL STRUCTUREOF TERMOTOGAMARITIMA 4-a.- GLUCANOTRANSFERASEAS THE TEMPLATE FOR SULOCHRINAS a-GLUCOSIDASE INHIBITORS
title_fullStr	THE APPLICABILITY OF THE CRYSTAL STRUCTUREOF TERMOTOGAMARITIMA 4-a.- GLUCANOTRANSFERASEAS THE TEMPLATE FOR SULOCHRINAS a-GLUCOSIDASE INHIBITORS
title_full_unstemmed	THE APPLICABILITY OF THE CRYSTAL STRUCTUREOF TERMOTOGAMARITIMA 4-a.- GLUCANOTRANSFERASEAS THE TEMPLATE FOR SULOCHRINAS a-GLUCOSIDASE INHIBITORS
title_sort	applicability of the crystal structureof termotogamaritima 4-a.- glucanotransferaseas the template for sulochrinas a-glucosidase inhibitors
publisher	[Yogyakarta] : Universitas Gadjah Mada
publishDate	2009
url	https://repository.ugm.ac.id/28043/ http://i-lib.ugm.ac.id/jurnal/download.php?dataId=11106
_version_	1681219073514405888

THE APPLICABILITY OF THE CRYSTAL STRUCTUREOF TERMOTOGAMARITIMA 4-a.- GLUCANOTRANSFERASEAS THE TEMPLATE FOR SULOCHRINAS a-GLUCOSIDASE INHIBITORS

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