GPCR structure, function, drug discovery and crystallography: report from Academia-Industry International Conference (UK Royal Society) Chicheley Hall, 1-2 September 2014

Autor: Heifetz, A, Schertler, GF, Seifert, R, Tate, CG, Sexton, PM, Gurevich, VV, Fourmy, D, Cherezov, V, Marshall, FH, Storer, RI, Moraes, I, Tikhonova, IG, Tautermann, CS, Hunt, P, Ceska, T, Hodgson, S, Bodkin, MJ, Singh, S, Law, RJ, Biggin, PC

G-protein coupled receptors (GPCRs) are the targets of over half of all prescribed drugs today. The UniProt database has records for about 800 proteins classified as GPCRs, but drugs have only been developed against 50 of these. Thus, there is huge p

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Synthetically accessible de novo design using reaction vectors: Application to PARP1 inhibitors.

Autor: Ghiandoni GM; Information School, University of Sheffield, Regent Court, 211 Portobello, Sheffield, S1 4DP, UK., Flanagan SR; Evotec (U.K.) Ltd, 114 Innovation Drive, Milton Park, Abingdon, OX14 4RZ, UK., Bodkin MJ; Evotec (U.K.) Ltd, 114 Innovation Drive, Milton Park, Abingdon, OX14 4RZ, UK., Nizi MG; Department of Pharmaceutical Sciences, University of Perugia, 06123, Perugia, Italy., Galera-Prat A; Faculty of Biochemistry and Molecular Medicine & Biocenter Oulu, University of Oulu, Oulu, FI-90014, Finland., Brai A; Department of Biotechnology, Chemistry and Pharmacy, University of Siena, I-53100, Siena, Italy., Chen B; Department of Chemistry, University of Sheffield, Dainton Building, Brook Hill, Sheffield, S3 7HF, UK., Wallace JEA; Evotec (U.K.) Ltd, 114 Innovation Drive, Milton Park, Abingdon, OX14 4RZ, UK., Hristozov D; Evotec (U.K.) Ltd, 114 Innovation Drive, Milton Park, Abingdon, OX14 4RZ, UK., Webster J; Information School, University of Sheffield, Regent Court, 211 Portobello, Sheffield, S1 4DP, UK., Manfroni G; Department of Pharmaceutical Sciences, University of Perugia, 06123, Perugia, Italy., Lehtiö L; Faculty of Biochemistry and Molecular Medicine & Biocenter Oulu, University of Oulu, Oulu, FI-90014, Finland., Tabarrini O; Department of Pharmaceutical Sciences, University of Perugia, 06123, Perugia, Italy., Gillet VJ; Information School, University of Sheffield, Regent Court, 211 Portobello, Sheffield, S1 4DP, UK.

Publikováno v: Molecular informatics [Mol Inform] 2024 Apr; Vol. 43 (4), pp. e202300183. Date of Electronic Publication: 2024 Feb 06.

Design of the Global Health chemical diversity library v2 for screening against infectious diseases.

Autor: Wilson C; Drug Discovery Unit, Wellcome Centre for Anti-Infectives Research, Division of Biological Chemistry and Drug Discovery, University of Dundee, Dundee, United Kingdom., Gardner JMF; AMG Consultants Ltd, Discovery Park House, Ramsgate Road, Sandwich, Kent, United Kingdom., Gray DW; Drug Discovery Unit, Wellcome Centre for Anti-Infectives Research, Division of Biological Chemistry and Drug Discovery, University of Dundee, Dundee, United Kingdom., Baragana B; Drug Discovery Unit, Wellcome Centre for Anti-Infectives Research, Division of Biological Chemistry and Drug Discovery, University of Dundee, Dundee, United Kingdom., Wyatt PG; Drug Discovery Unit, Wellcome Centre for Anti-Infectives Research, Division of Biological Chemistry and Drug Discovery, University of Dundee, Dundee, United Kingdom., Cookson A; Drug Discovery Unit, Wellcome Centre for Anti-Infectives Research, Division of Biological Chemistry and Drug Discovery, University of Dundee, Dundee, United Kingdom., Thompson S; Drug Discovery Unit, Wellcome Centre for Anti-Infectives Research, Division of Biological Chemistry and Drug Discovery, University of Dundee, Dundee, United Kingdom., Mendoza-Martinez C; Drug Discovery Unit, Wellcome Centre for Anti-Infectives Research, Division of Biological Chemistry and Drug Discovery, University of Dundee, Dundee, United Kingdom., Bodkin MJ; Drug Discovery Unit, Wellcome Centre for Anti-Infectives Research, Division of Biological Chemistry and Drug Discovery, University of Dundee, Dundee, United Kingdom., Gilbert IH; Drug Discovery Unit, Wellcome Centre for Anti-Infectives Research, Division of Biological Chemistry and Drug Discovery, University of Dundee, Dundee, United Kingdom., Tarver GJ; Drug Discovery Unit, Wellcome Centre for Anti-Infectives Research, Division of Biological Chemistry and Drug Discovery, University of Dundee, Dundee, United Kingdom.

Publikováno v: PLoS neglected tropical diseases [PLoS Negl Trop Dis] 2023 Dec 27; Vol. 17 (12), pp. e0011799. Date of Electronic Publication: 2023 Dec 27 (Print Publication: 2023).

Fighting COVID-19 with Artificial Intelligence.

Autor: Monteleone S; Evotec (UK) Ltd., Abingdon, Oxfordshire, UK. stefania.monteleone@evotec.com., Kellici TF; Evotec (UK) Ltd., Abingdon, Oxfordshire, UK., Southey M; Evotec (UK) Ltd., Abingdon, Oxfordshire, UK., Bodkin MJ; Evotec (UK) Ltd., Abingdon, Oxfordshire, UK., Heifetz A; Evotec (UK) Ltd., Abingdon, Oxfordshire, UK.

Publikováno v: Methods in molecular biology (Clifton, N.J.) [Methods Mol Biol] 2022; Vol. 2390, pp. 103-112.