Zobrazeno 1 - 10
of 61
pro vyhledávání: '"Anna Gaulton"'
Publikováno v:
Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-3 (2023)
Externí odkaz:
https://doaj.org/article/5390a48e23d04683a80938ce90f0b9f7
Autor:
Maria P. Magariños, Anna Gaulton, Eloy Félix, Tevfik Kiziloren, Ricardo Arcila, Tudor I. Oprea, Andrew R. Leach
Publikováno v:
PeerJ, Vol 11, p e15153 (2023)
The patent literature is a potentially valuable source of bioactivity data. In this article we describe a process to prioritise 3.7 million life science relevant patents obtained from the SureChEMBL database (https://www.surechembl.org/), according t
Externí odkaz:
https://doaj.org/article/5dbd917e301f45c7a2da3d708bdd1b1a
Autor:
María Gordillo-Marañón, Magdalena Zwierzyna, Pimphen Charoen, Fotios Drenos, Sandesh Chopade, Tina Shah, Jorgen Engmann, Nishi Chaturvedi, Olia Papacosta, Goya Wannamethee, Andrew Wong, Reecha Sofat, Mika Kivimaki, Jackie F. Price, Alun D. Hughes, Tom R. Gaunt, Deborah A. Lawlor, Anna Gaulton, Aroon D. Hingorani, Amand F. Schmidt, Chris Finan
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-12 (2021)
Drug target Mendelian randomization (MR) uses genetic variation in or near a gene encoding a drug target to anticipate the effect of drug action on the same target. Using drug target MR, the authors prioritized 30 targets that might elicit beneficial
Externí odkaz:
https://doaj.org/article/da0636481f784c5bbf9d63d052cf0333
Autor:
A. Patrícia Bento, Anne Hersey, Eloy Félix, Greg Landrum, Anna Gaulton, Francis Atkinson, Louisa J. Bellis, Marleen De Veij, Andrew R. Leach
Publikováno v:
Journal of Cheminformatics, Vol 12, Iss 1, Pp 1-16 (2020)
Abstract Background The ChEMBL database is one of a number of public databases that contain bioactivity data on small molecule compounds curated from diverse sources. Incoming compounds are typically not standardised according to consistent rules. In
Externí odkaz:
https://doaj.org/article/bbbf7ee22f154d9a97199854b9ea5039
Publikováno v:
Journal of Cheminformatics, Vol 11, Iss 1, Pp 1-16 (2019)
Abstract Structure–activity relationship modelling is frequently used in the early stage of drug discovery to assess the activity of a compound on one or several targets, and can also be used to assess the interaction of compounds with liability ta
Externí odkaz:
https://doaj.org/article/2adde0ba9c384473a5278ecd3caee010
Publikováno v:
Journal of Cheminformatics, Vol 11, Iss 1, Pp 1-3 (2019)
Abstract In response to Krstajic’s letter to the editor concerning our published paper, we here take the opportunity to reply, to re-iterate that no errors in our work were identified, to provide further details, and to re-emphasise the outputs of
Externí odkaz:
https://doaj.org/article/784f7afcbbbe42d2af678bf9df2f4c53
Publikováno v:
PLoS Computational Biology, Vol 10, Iss 4, p e1003559 (2014)
Allosteric modulators are ligands for proteins that exert their effects via a different binding site than the natural (orthosteric) ligand site and hence form a conceptually distinct class of ligands for a target of interest. Here, the physicochemica
Externí odkaz:
https://doaj.org/article/7f337f3ac3924fbdbd2903972bb5d74f
Autor:
Emma J. Manners, A. Patrícia Bento, Chris J Radoux, Paul D. Leeson, Anne Hersey, Anna Gaulton, Andrew R. Leach
Publikováno v:
Journal of medicinal chemistry
Physicochemical descriptors commonly used to define "drug-likeness" and ligand efficiency measures are assessed for their ability to differentiate marketed drugs from compounds reported to bind to their efficacious target or targets. Using ChEMBL ver
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7bbf4fd3e6a656d4659ffbd39cbe1b44
https://doi.org/10.1021/acs.jmedchem.1c00416
https://doi.org/10.1021/acs.jmedchem.1c00416
Autor:
John P. Overington, Spiros Denaxas, David Prieto, Felix A. Kruger, Raymond J. MacAllister, Aroon D. Hingorani, Harry Hemingway, Anna Gaulton, Reecha Sofat, Valerie Kuan, Sandesh Chopade, Juan P Casas, Chris Finan
Publikováno v:
Scientific Reports, Vol 9, Iss 1, Pp 1-25 (2019)
Scientific Reports
Scientific Reports
Lack of efficacy in the intended disease indication is the major cause of clinical phase drug development failure. Explanations could include the poor external validity of pre-clinical (cell, tissue, and animal) models of human disease and the high f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::35fd21e55667dd5ae0a8c2a78d6f0377
http://link.springer.com/article/10.1038/s41598-019-54849-w
http://link.springer.com/article/10.1038/s41598-019-54849-w
Autor:
Jackie F. Price, Pimphen Charoen, Reecha Sofat, Nishi Chaturvedi, Amand F. Schmidt, Sandesh Chopade, Tina Shah, Jorgen Engmann, María Gordillo-Marañón, Tom R. Gaunt, Mika Kivimäki, Alun D. Hughes, Aroon D. Hingorani, Debbie A Lawlor, Goya Wannamethee, Magdalena Zwierzyna, Chris Finan, Olia Papacosta, Andrew Wong, Anna Gaulton, Fotios Drenos
Publikováno v:
Nature Communications
Nature Communications, Vol 12, Iss 1, Pp 1-12 (2021)
Gordillo-Maranon, M, Zwierzyna, M, Charoen, P, Drenos, F, Chopade, S, Shah, T, Engmann, J, Chaturvedi, N, Papacosta, O, Wannamethee, G, Wong, A, Sofat, R, Kivimaki, M, Price, J F, Hughes, A D, Gaunt, T R, Lawlor, D A, Gaulton, A, Hingorani, A D, Schmidt, A F & Finan, C 2021, ' Validation of lipid-related therapeutic targets for coronary heart disease prevention using human genetics ', Nature Communications . https://doi.org/10.1038/s41467-021-25731-z
Gordillo-Marañón, M, Gaunt, T R & Lawlor, D A 2021, ' Validation of lipid-related therapeutic targets for coronary heart disease prevention using human genetics ', Nature Communications, vol. 12, no. 1, 6120 . https://doi.org/10.1038/s41467-021-25731-z
Nature Communications, Vol 12, Iss 1, Pp 1-12 (2021)
Gordillo-Maranon, M, Zwierzyna, M, Charoen, P, Drenos, F, Chopade, S, Shah, T, Engmann, J, Chaturvedi, N, Papacosta, O, Wannamethee, G, Wong, A, Sofat, R, Kivimaki, M, Price, J F, Hughes, A D, Gaunt, T R, Lawlor, D A, Gaulton, A, Hingorani, A D, Schmidt, A F & Finan, C 2021, ' Validation of lipid-related therapeutic targets for coronary heart disease prevention using human genetics ', Nature Communications . https://doi.org/10.1038/s41467-021-25731-z
Gordillo-Marañón, M, Gaunt, T R & Lawlor, D A 2021, ' Validation of lipid-related therapeutic targets for coronary heart disease prevention using human genetics ', Nature Communications, vol. 12, no. 1, 6120 . https://doi.org/10.1038/s41467-021-25731-z
Drug target Mendelian randomization (MR) studies use DNA sequence variants in or near a gene encoding a drug target, that alter the target’s expression or function, as a tool to anticipate the effect of drug action on the same target. Here we apply
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a2b68efb08bf935d700ee02c3edc4307
https://pubmed.ncbi.nlm.nih.gov/34675202
https://pubmed.ncbi.nlm.nih.gov/34675202