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The catalytic mechanism of the marine-derived macrocyclase PatGmac

Abstract:

Cyclic peptides are a class of compounds with high therapeutic potential, possessing bioactivities including antitumor and antiviral (including anti-HIV). Despite their desirability, efficient design and production of these compounds has not been achieved to date. The catalytic mechanism of patellamide macrocyclization by the PatG macrocyclase domain has been computationally investigated by using quantum mechanics/molecular mechanics methodology, specifically ONIOM(M06/6-311++G(2d,2p):ff94//B...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1002/chem.201601670

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Funding agency for:
Brás, N
Grant:
IF/01355/2014
Publisher:
Wiley Publisher's website
Journal:
Chemistry - A European Journal Journal website
Volume:
22
Issue:
37
Pages:
13089–13097
Publication date:
2016-07-08
DOI:
EISSN:
1521-3765
ISSN:
0947-6539
Source identifiers:
699014
Language:
English
Keywords:
Pubs id:
pubs:699014
UUID:
uuid:e6865fd2-8a0d-4a55-a6c1-7a550fc37a16
Local pid:
pubs:699014
Deposit date:
2017-07-24

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