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Recent Advances in Understanding Biological GTP Hydrolysis through Molecular Simulation

Calixto, Ana Rita ; Moreira, Cátia and Kamerlin, Shina Caroline Lynn LU orcid (2020) In ACS Omega 5(9). p.4380-4385
Abstract

GTP hydrolysis is central to biology, being involved in regulating a wide range of cellular processes. However, the mechanisms by which GTPases hydrolyze this critical reaction remain controversial, with multiple mechanistic possibilities having been proposed based on analysis of experimental and computational data. In this mini-review, we discuss advances in our understanding of biological GTP hydrolysis based on recent computational studies and argue in favor of solvent-assisted hydrolysis as a conserved mechanism among GTPases. A concrete understanding of the fundamental mechanisms by which these enzymes facilitate GTP hydrolysis will have significant impact both for drug discovery efforts and for unraveling the role of oncogenic... (More)

GTP hydrolysis is central to biology, being involved in regulating a wide range of cellular processes. However, the mechanisms by which GTPases hydrolyze this critical reaction remain controversial, with multiple mechanistic possibilities having been proposed based on analysis of experimental and computational data. In this mini-review, we discuss advances in our understanding of biological GTP hydrolysis based on recent computational studies and argue in favor of solvent-assisted hydrolysis as a conserved mechanism among GTPases. A concrete understanding of the fundamental mechanisms by which these enzymes facilitate GTP hydrolysis will have significant impact both for drug discovery efforts and for unraveling the role of oncogenic mutations.

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Please use this url to cite or link to this publication:
author
; and
publishing date
type
Contribution to journal
publication status
published
in
ACS Omega
volume
5
issue
9
pages
6 pages
publisher
The American Chemical Society (ACS)
external identifiers
  • pmid:32175485
  • scopus:85082063637
ISSN
2470-1343
DOI
10.1021/acsomega.0c00240
language
English
LU publication?
no
additional info
Copyright © 2020 American Chemical Society.
id
c7e3d55b-2d23-4820-abeb-e3ca9dd4075d
date added to LUP
2025-01-11 19:49:44
date last changed
2025-04-20 11:46:18
@article{c7e3d55b-2d23-4820-abeb-e3ca9dd4075d,
  abstract     = {{<p>GTP hydrolysis is central to biology, being involved in regulating a wide range of cellular processes. However, the mechanisms by which GTPases hydrolyze this critical reaction remain controversial, with multiple mechanistic possibilities having been proposed based on analysis of experimental and computational data. In this mini-review, we discuss advances in our understanding of biological GTP hydrolysis based on recent computational studies and argue in favor of solvent-assisted hydrolysis as a conserved mechanism among GTPases. A concrete understanding of the fundamental mechanisms by which these enzymes facilitate GTP hydrolysis will have significant impact both for drug discovery efforts and for unraveling the role of oncogenic mutations.</p>}},
  author       = {{Calixto, Ana Rita and Moreira, Cátia and Kamerlin, Shina Caroline Lynn}},
  issn         = {{2470-1343}},
  language     = {{eng}},
  month        = {{03}},
  number       = {{9}},
  pages        = {{4380--4385}},
  publisher    = {{The American Chemical Society (ACS)}},
  series       = {{ACS Omega}},
  title        = {{Recent Advances in Understanding Biological GTP Hydrolysis through Molecular Simulation}},
  url          = {{http://dx.doi.org/10.1021/acsomega.0c00240}},
  doi          = {{10.1021/acsomega.0c00240}},
  volume       = {{5}},
  year         = {{2020}},
}