论文名称：Molecular mechanism analysis of Gloydius shedaoensis venom gloshedobin interaction with inhibitors by homology modeling
论文类型：期刊论文
发表刊物：INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
收录刊物：SCIE、PubMed
卷号：48
期号：1
页面范围：129-133
ISSN号：0141-8130
关键字：Amidolytic activity; Fibrinogenolytic activity; Homology modeling; Inhibition; Snake venom; Thrombin-like enzyme
摘要：Snake venom thrombin-like enzymes (SVTLEs) are widely applied in the treatment of thrombotic diseases, however, the molecular mechanism of its inhibition by synthetic and natural proteinaceous inhibitors is not yet understood. Here we investigated effects of protease inhibitors including phenylmethylsulfonil fluoride (PMSF), benzamidine (BMD) and its derivates on the activity of recombinant gloshedobin, a SVTLE from the snake Gloydius shedaoensis. The molecular inhibition mechanism was postulated by separately docking inhibitors into three-dimensional model of gloshedobin using protein C activator from Agkistrodon contortrix contortrix venom (ACC-C, which bear 78% identity with gloshedobin) as template. The analysis indicated that the strongest inhibitor, PMSF, was via a covalent bond with the catalytic Ser195, while other inhibitors showing weaker inhibitory activity were via hydrogen bond with Ser195 or non-catalytic residues. (C) 2010 Elsevier B.V. All rights reserved.
发表时间：2011-01-01