Zobrazeno 1 - 10
of 22
pro vyhledávání: '"Suzanne C. Brewerton"'
Autor:
Andreas Bender, Georgios Drakakis, Suzanne C. Brewerton, Keith A. Wafford, David A. Evans, Michael J. Bodkin
Publikováno v:
ACS Chemical Biology. 12:1593-1602
In this work, we describe the computational ("in silico") mode-of-action analysis of CNS-active drugs, which is taking both multiple simultaneous hypotheses as well as sets of protein targets for each mode-of-action into account, and which was follow
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6f9363923019d85e724630ace84e2b2c
https://doi.org/10.1021/acschembio.7b00209
https://doi.org/10.1021/acschembio.7b00209
Autor:
Kimberley Hanson, Adam E. Hendry, Georgios Drakakis, Grant N. Wheeler, Andreas Bender, Suzanne C. Brewerton, David A. Evans, Michael J. Bodkin
Publikováno v:
MedChemComm. 5:386-396
Given the increasing utilization of phenotypic screens in drug discovery also the subsequent mechanism-of-action analysis gains increased attention. Such analyses frequently use in silico methods, which have become significantly more popular in recen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::530af36e6b51728e39d18b2dedef6b84
https://doi.org/10.1039/c3md00313b
https://doi.org/10.1039/c3md00313b
Autor:
Peter Davies, John N. Calley, Sarah Glover, Roger Moore, Amanda J. Bell, Suzanne C. Brewerton, Eric Karran, Annalisa Cavallini, Philip G. Szekeres, Michael Poidinger, Devaki Ramachandran, Clare Hardy, Michael Hutton, Suchira Bose, Samantha Sargent
Publikováno v:
Journal of Biological Chemistry. 288:23331-23347
Neurofibrillary tangles, one of the hallmarks of Alzheimer disease (AD), are composed of paired helical filaments of abnormally hyperphosphorylated tau. The accumulation of these proteinaceous aggregates in AD correlates with synaptic loss and severi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4328d38f19e34dc88a7b7d6a434d84f9
https://doi.org/10.1074/jbc.m113.463984
https://doi.org/10.1074/jbc.m113.463984
Publikováno v:
Journal of Chemical Information and Modeling. 48:1269-1278
A continuing problem in protein-ligand docking is the correct relative ranking of active molecules versus inactives. Using the ChemScore scoring function as implemented in the GOLD docking software, we have investigated the effect of scaling hydrogen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::becbded4cabecbf200fe8fc8569b4cf8
https://doi.org/10.1021/ci8000452
https://doi.org/10.1021/ci8000452
Autor:
Carsten D. Richter, Ricardo Núñez Miguel, Martin C. Moncrieffe, R. William Broadhurst, Kira J. Weissman, David A. Stanmore, Filip Meersman, Lucky Tran, Suzanne C Brewerton
Publikováno v:
FEBS Journal. 274:2196-2209
Domains within the multienzyme polyketide synthases are linked by noncatalytic sequences of variable length and unknown function. Recently, the crystal structure was reported of a portion of the linker between the acyltransferase (AT) and ketoreducta
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e11b2b8f87cc4e298cf18cb44f739197
https://doi.org/10.1111/j.1742-4658.2007.05757.x
https://doi.org/10.1111/j.1742-4658.2007.05757.x
Autor:
David F. Burke, Catherine L. Worth, Nicholas J. Harmer, Suzanne C Brewerton, Bancinyane L. Sibanda, Owen R. Davies, Vijayalakshmi Chelliah, Tom L. Blundell, Rinaldo W. Montalvao
Publikováno v:
Philosophical Transactions of the Royal Society B: Biological Sciences. 361:413-423
Impressive progress in genome sequencing, protein expression and high-throughput crystallography and NMR has radically transformed the opportunities to use protein three-dimensional structures to accelerate drug discovery, but the quantity and comple
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ae2aa8e8a3ea69f51df72b269886496b
https://doi.org/10.1098/rstb.2005.1800
https://doi.org/10.1098/rstb.2005.1800
Autor:
Sonia, Liggi, Georgios, Drakakis, Alexios, Koutsoukas, Isidro, Cortes-Ciriano, Patricia, Martínez-Alonso, Thérèse E, Malliavin, Adrian, Velazquez-Campoy, Suzanne C, Brewerton, Michael J, Bodkin, David A, Evans, Robert C, Glen, José Alberto, Carrodeguas, Andreas, Bender
Publikováno v:
Future medicinal chemistry. 6(18)
An in silico mechanism-of-action analysis protocol was developed, comprising molecule bioactivity profiling, annotation of predicted targets with pathways and calculation of enrichment factors to highlight targets and pathways more likely to be impli
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::a7d66ec96b0916e408f0c9a958ade011
https://pubmed.ncbi.nlm.nih.gov/25531967
https://pubmed.ncbi.nlm.nih.gov/25531967
Publikováno v:
DNA Repair. 3:33-41
Cellular life depends upon the preservation and transmission of genetic material. Double stranded DNA breaks (DSBs) cause catastrophic gene loss in cell division and must be promptly and accurately repaired. In eukaryotes DSBs may be repaired by eith
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5e3185ef1aa5aabcdda9371dc5a51c23
https://doi.org/10.1016/j.dnarep.2003.09.003
https://doi.org/10.1016/j.dnarep.2003.09.003
Autor:
Aakash Chavan, Ravindranath, Nolen, Perualila-Tan, Adetayo, Kasim, Georgios, Drakakis, Sonia, Liggi, Suzanne C, Brewerton, Daniel, Mason, Michael J, Bodkin, David A, Evans, Aditya, Bhagwat, Willem, Talloen, Hinrich W H, Göhlmann, Ziv, Shkedy, Andreas, Bender, Laure, Cougnaud
Publikováno v:
Molecular bioSystems. 11(1)
Integrating gene expression profiles with certain proteins can improve our understanding of the fundamental mechanisms in protein-ligand binding. This paper spotlights the integration of gene expression data and target prediction scores, providing in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::5855bef4fb0a74c9e1a514c9ddd60888
https://pubmed.ncbi.nlm.nih.gov/25254964
https://pubmed.ncbi.nlm.nih.gov/25254964
Autor:
Andreas Bender, Michael J. Bodkin, Georgios Drakakis, David A. Evans, Alexios Koutsoukas, Suzanne C. Brewerton
Publikováno v:
Combinatorial chemistryhigh throughput screening. 18(3)
The increase of publicly available bioactivity data has led to the extensive development and usage of in silico bioactivity prediction algorithms. A particularly popular approach for such analyses is the multiclass Naive Bayes, whose output is common
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::550d522ede92f71af7dac1202a9e92b1
https://pubmed.ncbi.nlm.nih.gov/25747441
https://pubmed.ncbi.nlm.nih.gov/25747441