原创力文档discovery of small molecule inhibitors for the snake venom metalloprotease bap1 using in silico and in vitro tests：（发现小分子抑制剂的蛇毒metalloprotease bap1使用硅和体外测试）.pdfVIP
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discovery of small molecule inhibitors for the snake venom metalloprotease bap1 using in silico and in vitro tests：（发现小分子抑制剂的蛇毒metalloprotease bap1使用硅和体外测试）
Bioorganic Medicinal Chemistry Letters 27 (2017) 2018–2022
Contents lists available at ScienceDirect
Bioorganic Medicinal Chemistry Letters
journal homepage: www.else /locate/bmcl
Discovery of small molecule inhibitors for the snake venom
metalloprotease BaP1 using in silico and in vitro tests
Fabian Villalta-Romero a, Luiz Borro b, Boris Mandic a,c, Teresa Escalante d, Alexandra Rucavado d,
Jose María Gutiérrez d, Goran Neshich e, Ljubica Tasic a,⇑
a Chemical Biology Laboratory, Organic Chemistry Department, Institute of Chemistry, UNICAMP, Campinas, SP, Brazil
b Institute of Biology, UNICAMP, Campinas, SP, Brazil
c Faculty of Chemistry, University of Belgrade, Belgrade, Serbia
d Instituto Clodomiro Picado, Facultad de Microbiología, Universidad de Costa Rica, San José, Costa Rica
e Brazilian Agricultural Research Corporation (EMBRAPA), National Center for Agricultural Informatics, Computational Biology Research Group, Campinas, SP, Brazil
a r t i c l e i n f o a b s t r a c t
Article history: Snakebites represent an important public health problem, with a great number of victims with perma-
Received 18 January 2017 nent sequelae or fatal outcomes, particularly in rural, agriculturally active areas. The snake venom met-
Revised 2 March 2017 alloproteases (SVMPs) are the principal proteins responsible for some clinically-relevant effects, such as
Accepted 3 March 2017
local and systemic hemorrhage, dermonecrosis, and myonecrosis. Because of the difficulties in neutraliz-
Available online 6 March 2017
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