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From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease.
Brown AJH, Bradley SJ, Marshall FH, Brown GA, Bennett KA, Brown J, Cansfield JE, Cross DM, de Graaf C, Hudson BD, Dwomoh L, Dias JM, Errey JC, Hurrell E, Liptrot J, Mattedi G, Molloy C, Nathan PJ, Okrasa K, Osborne G, Patel JC, Pickworth M, Robertson N, Shahabi S, Bundgaard C, Phillips K, Broad LM, Goonawardena AV, Morairty SR, Browning M, Perini F, Dawson GR, Deakin JFW, Smith RT, Sexton PM, Warneck J, Vinson M, Tasker T, Tehan BG, Teobald B, Christopoulos A, Langmead CJ, Jazayeri A, Cooke RM, Rucktooa P, Congreve MS, Weir M, Tobin AB. Brown AJH, et al. Among authors: de graaf c. Cell. 2021 Nov 24;184(24):5886-5901.e22. doi: 10.1016/j.cell.2021.11.001. Cell. 2021. PMID: 34822784 Free article. Clinical Trial.
Insights into the structure of class B GPCRs.
Hollenstein K, de Graaf C, Bortolato A, Wang MW, Marshall FH, Stevens RC. Hollenstein K, et al. Among authors: de graaf c. Trends Pharmacol Sci. 2014 Jan;35(1):12-22. doi: 10.1016/j.tips.2013.11.001. Epub 2013 Dec 18. Trends Pharmacol Sci. 2014. PMID: 24359917 Free PMC article. Review.
Understanding Ligand Binding Selectivity in a Prototypical GPCR Family.
Mattedi G, Deflorian F, Mason JS, de Graaf C, Gervasio FL. Mattedi G, et al. Among authors: de graaf c. J Chem Inf Model. 2019 Jun 24;59(6):2830-2836. doi: 10.1021/acs.jcim.9b00298. Epub 2019 Jun 4. J Chem Inf Model. 2019. PMID: 31125224 Free PMC article.
Identification of a novel allosteric GLP-1R antagonist HTL26119 using structure- based drug design.
O'Brien A, Andrews SP, Baig AH, Bortolato A, Brown AJH, Brown GA, Brown SH, Christopher JA, Congreve M, Cooke RM, De Graaf C, Errey JC, Fieldhouse C, Jazayeri A, Marshall FH, Mason JS, Mobarec JC, Okrasa K, Steele KN, Southall SM, Teobald I, Watson SP, Weir M. O'Brien A, et al. Among authors: de graaf c. Bioorg Med Chem Lett. 2019 Oct 15;29(20):126611. doi: 10.1016/j.bmcl.2019.08.015. Epub 2019 Aug 9. Bioorg Med Chem Lett. 2019. PMID: 31447084
Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
Rappas M, Ali AAE, Bennett KA, Brown JD, Bucknell SJ, Congreve M, Cooke RM, Cseke G, de Graaf C, Doré AS, Errey JC, Jazayeri A, Marshall FH, Mason JS, Mould R, Patel JC, Tehan BG, Weir M, Christopher JA. Rappas M, et al. Among authors: de graaf c. J Med Chem. 2020 Feb 27;63(4):1528-1543. doi: 10.1021/acs.jmedchem.9b01787. Epub 2020 Jan 19. J Med Chem. 2020. PMID: 31860301 Free PMC article.
Impact of GPCR Structures on Drug Discovery.
Congreve M, de Graaf C, Swain NA, Tate CG. Congreve M, et al. Among authors: de graaf c. Cell. 2020 Apr 2;181(1):81-91. doi: 10.1016/j.cell.2020.03.003. Cell. 2020. PMID: 32243800 Free article. Review.
Advances in therapeutic peptides targeting G protein-coupled receptors.
Davenport AP, Scully CCG, de Graaf C, Brown AJH, Maguire JJ. Davenport AP, et al. Among authors: de graaf c. Nat Rev Drug Discov. 2020 Jun;19(6):389-413. doi: 10.1038/s41573-020-0062-z. Epub 2020 Mar 19. Nat Rev Drug Discov. 2020. PMID: 32494050 Review.
X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists.
Jespers W, Verdon G, Azuaje J, Majellaro M, Keränen H, García-Mera X, Congreve M, Deflorian F, de Graaf C, Zhukov A, Doré AS, Mason JS, Åqvist J, Cooke RM, Sotelo E, Gutiérrez-de-Terán H. Jespers W, et al. Among authors: de graaf c. Angew Chem Int Ed Engl. 2020 Sep 14;59(38):16536-16543. doi: 10.1002/anie.202003788. Epub 2020 Jul 22. Angew Chem Int Ed Engl. 2020. PMID: 32542862 Free PMC article.
Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors.
Akdemir A, Rucktooa P, Jongejan A, Elk Rv, Bertrand S, Sixma TK, Bertrand D, Smit AB, Leurs R, de Graaf C, de Esch IJ. Akdemir A, et al. Among authors: de esch ij, de graaf c. Bioorg Med Chem. 2011 Oct 15;19(20):6107-19. doi: 10.1016/j.bmc.2011.08.028. Epub 2011 Aug 27. Bioorg Med Chem. 2011. PMID: 21920761
506 results