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Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library

Abstract:

Potent Ebolavirus (EBOV) inhibitors will help to curtail outbreaks such as that which occurred in 2014-16 in West Africa. EBOV has on its surface a single glycoprotein (GP) critical for viral entry and membrane fusion. Recent high-resolution complexes of EBOV GP with a variety of approved drugs revealed that binding to a common cavity prevented fusion of the virus and endosomal membranes, inhibiting virus infection. We performed docking experiments, screening a database of natural compounds t...

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Publication status:
Published
Peer review status:
Peer reviewed

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Files:
Publisher copy:
10.1021/acs.jmedchem.8b01328

Authors


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Role:
Author
ORCID:
0000-0003-4664-2319
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Institution:
University of Oxford
Division:
MPLS Division
Department:
Chemistry
Sub department:
Organic Chemistry
Role:
Author
ORCID:
0000-0003-1094-0349
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Publisher:
American Chemical Society Publisher's website
Journal:
Journal of Medicinal Chemistry Journal website
Volume:
62
Issue:
6
Pages:
2928-2937
Publication date:
2019-02-20
Acceptance date:
2019-02-20
DOI:
EISSN:
1520-4804
ISSN:
0022-2623
Pmid:
30785281
Source identifiers:
975051
Language:
English
Keywords:
Pubs id:
pubs:975051
UUID:
uuid:bed4b36e-e31f-46ef-8d55-ae356fc0400a
Local pid:
pubs:975051
Deposit date:
2019-03-18

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