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METLIN-CCS: an ion mobility spectrometry collision cross section database.

Autor: Baker ES; Department of Chemistry, The University of North Carolina at Chapel Hill, Chapel Hill, NC, USA. erinmsb@unc.edu., Hoang C; Scripps Center of Metabolomics and Mass Spectrometry, La Jolla, CA, USA., Uritboonthai W; Scripps Center of Metabolomics and Mass Spectrometry, La Jolla, CA, USA., Heyman HM; Bruker Daltonics, Bruker Scientific LLC, Billerica, MA, USA.; Metabolon Inc., Morrisville, NC, USA., Pratt B; Department of Genome Sciences, University of Washington, Seattle, WA, USA., MacCoss M; Department of Genome Sciences, University of Washington, Seattle, WA, USA., MacLean B; Department of Genome Sciences, University of Washington, Seattle, WA, USA., Plumb R; Waters Corporation, Scientific Operations, IMMERSE, Cambridge, MA, USA., Aisporna A; Scripps Center of Metabolomics and Mass Spectrometry, La Jolla, CA, USA., Siuzdak G; Scripps Center of Metabolomics and Mass Spectrometry, La Jolla, CA, USA. siuzdak@scripps.edu.; Department of Chemistry, Molecular and Computational Biology, Scripps Research Institute, La Jolla, CA, USA. siuzdak@scripps.edu.

Publikováno v: Nature methods [Nat Methods] 2023 Dec; Vol. 20 (12), pp. 1836-1837.

Discovery and Characterization of Potent, Efficacious, Orally Available Antimalarial Plasmepsin X Inhibitors and Preclinical Safety Assessment of UCB7362 .

Autor: Lowe MA; UCB, 216 Bath Road, Slough SL1 3WE, United Kingdom., Cardenas A; UCB, Chem. du Foriest 1, 1420 Braine-l'Alleud, Belgium., Valentin JP; UCB, Chem. du Foriest 1, 1420 Braine-l'Alleud, Belgium., Zhu Z; UCB, 216 Bath Road, Slough SL1 3WE, United Kingdom., Abendroth J; UCB, 7869 NE Day Road West, Bainbridge Island, Washington 98110, United States., Castro JL; UCB, 216 Bath Road, Slough SL1 3WE, United Kingdom., Class R; UCB, Chem. du Foriest 1, 1420 Braine-l'Alleud, Belgium., Delaunois A; UCB, Chem. du Foriest 1, 1420 Braine-l'Alleud, Belgium., Fleurance R; UCB, Chem. du Foriest 1, 1420 Braine-l'Alleud, Belgium., Gerets H; UCB, Chem. du Foriest 1, 1420 Braine-l'Alleud, Belgium., Gryshkova V; UCB, Chem. du Foriest 1, 1420 Braine-l'Alleud, Belgium., King L; UCB, 216 Bath Road, Slough SL1 3WE, United Kingdom., Lorimer DD; UCB, 7869 NE Day Road West, Bainbridge Island, Washington 98110, United States., MacCoss M; Bohicket Pharma Consulting LLC, 2556 Seabrook Island Road, Seabrook Island, South Carolina 29455, United States., Rowley JH; UCB, 216 Bath Road, Slough SL1 3WE, United Kingdom., Rosseels ML; UCB, Chem. du Foriest 1, 1420 Braine-l'Alleud, Belgium., Royer L; UCB, Chem. du Foriest 1, 1420 Braine-l'Alleud, Belgium., Taylor RD; UCB, 216 Bath Road, Slough SL1 3WE, United Kingdom., Wong M; UCB, 216 Bath Road, Slough SL1 3WE, United Kingdom., Zaccheo O; UCB, 216 Bath Road, Slough SL1 3WE, United Kingdom., Chavan VP; Sai Life Sciences Limited, Plot DS-7, IKP Knowledge Park, Genome Valley, Turkapally, Hyderabad 500078, Telangana, India., Ghule GA; Sai Life Sciences Limited, Plot DS-7, IKP Knowledge Park, Genome Valley, Turkapally, Hyderabad 500078, Telangana, India., Tapkir BK; Sai Life Sciences Limited, Plot DS-7, IKP Knowledge Park, Genome Valley, Turkapally, Hyderabad 500078, Telangana, India., Burrows JN; Medicines for Malaria Venture, ICC, Route de Pré-Bois 20, 1215 Geneva, Switzerland., Duffey M; Medicines for Malaria Venture, ICC, Route de Pré-Bois 20, 1215 Geneva, Switzerland., Rottmann M; Swiss Tropical and Public Health Institute, Kreuzstrasse 2, CH-4123 Allschwil, Switzerland.; University of Basel, 4002 Basel, Switzerland., Wittlin S; Swiss Tropical and Public Health Institute, Kreuzstrasse 2, CH-4123 Allschwil, Switzerland.; University of Basel, 4002 Basel, Switzerland., Angulo-Barturen I; The Art of Discovery, SL Biscay Science and Technology Park, Astondo Bidea, BIC Bizkaia Building, no. 612, Derio 48160, Bizkaia, Basque Country, Spain., Jiménez-Díaz MB; The Art of Discovery, SL Biscay Science and Technology Park, Astondo Bidea, BIC Bizkaia Building, no. 612, Derio 48160, Bizkaia, Basque Country, Spain., Striepen J; Department of Microbiology & Immunology, Columbia University Irving Medical Center, New York, New York 10032, United States., Fairhurst KJ; Department of Microbiology & Immunology, Columbia University Irving Medical Center, New York, New York 10032, United States., Yeo T; Department of Microbiology & Immunology, Columbia University Irving Medical Center, New York, New York 10032, United States., Fidock DA; Department of Microbiology & Immunology, Columbia University Irving Medical Center, New York, New York 10032, United States.; Center for Malaria Therapeutics and Antimicrobial Resistance, Division of Infectious Diseases, Department of Medicine, Columbia University Irving Medical Center, New York, New York 10032, United States., Cowman AF; The Walter and Eliza Hall Institute of Medical Research, 1G Royal Parade, Parkville, VIC 3052, Australia., Favuzza P; The Walter and Eliza Hall Institute of Medical Research, 1G Royal Parade, Parkville, VIC 3052, Australia., Crespo-Fernandez B; Global Health, GlaxoSmithKline R&D, Tres Cantos, 28760 Madrid, Spain., Gamo FJ; Global Health, GlaxoSmithKline R&D, Tres Cantos, 28760 Madrid, Spain., Goldberg DE; Division of Infectious Diseases, Department of Medicine, Washington University School of Medicine, 660 South Euclid Avenue, Campus Box 8051, St. Louis, Missouri 63110, United States., Soldati-Favre D; Department of Microbiology and Molecular Medicine, Faculty of Medicine, CMU, 1 rue Michel-Servet, CH-1211 Genève 4, Switzerland., Laleu B; Medicines for Malaria Venture, ICC, Route de Pré-Bois 20, 1215 Geneva, Switzerland., de Haro T; UCB, Chem. du Foriest 1, 1420 Braine-l'Alleud, Belgium.

Publikováno v: Journal of medicinal chemistry [J Med Chem] 2022 Oct 27; Vol. 65 (20), pp. 14121-14143. Date of Electronic Publication: 2022 Oct 10.

C-H Cyanation of 6-Ring N-Containing Heteroaromatics

Autor: Elbert, BL, Farley, AJM, Gorman, TW, Johnson, TC, Genicot, C, Lallemand, B, Pasau, P, Flasz, J, Castro, JL, MacCoss, M, Paton, RS, Schofield, CJ, Smith, MD, Willis, MC, Dixon, DJ

Publikováno v: Chemistry (Weinheim an Der Bergstrasse, Germany)

Heteroaromatic nitriles are important compounds in drug discovery, both for their prevalence in the clinic and due to the diverse range of transformations they can undergo. As such, efficient and reliable methods to access them have the potential for

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid_dedup__::0ed5d58129c149622ba9384fab7b2339
https://pubmed.ncbi.nlm.nih.gov/28833674

Modulating Target Protein Biology Through the Re-mapping of Conformational Distributions Using Small Molecules.

Autor: Lawson ADG; UCB Pharma, Slough, United Kingdom., MacCoss M; Bohicket Consulting LLC, Seabrook Island, SC, United States., Baeten DL; UCB Pharma, Slough, United Kingdom., Macpherson A; UCB Pharma, Slough, United Kingdom., Shi J; UCB Pharma, Slough, United Kingdom., Henry AJ; UCB Pharma, Slough, United Kingdom.

Publikováno v: Frontiers in chemistry [Front Chem] 2021 May 04; Vol. 9, pp. 668186. Date of Electronic Publication: 2021 May 04 (Print Publication: 2021).