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Page 1
Lead optimization using matched molecular pairs: inclusion of contextual information for enhanced prediction of HERG inhibition, solubility, and lipophilicity.
Papadatos G, Alkarouri M, Gillet VJ, Willett P, Kadirkamanathan V, Luscombe CN, Bravi G, Richmond NJ, Pickett SD, Hussain J, Pritchard JM, Cooper AW, Macdonald SJ. Papadatos G, et al. Among authors: pritchard jm. J Chem Inf Model. 2010 Oct 25;50(10):1872-86. doi: 10.1021/ci100258p. J Chem Inf Model. 2010. PMID: 20873842
Analysis of neighborhood behavior in lead optimization and array design.
Papadatos G, Cooper AW, Kadirkamanathan V, Macdonald SJ, McLay IM, Pickett SD, Pritchard JM, Willett P, Gillet VJ. Papadatos G, et al. Among authors: pritchard jm. J Chem Inf Model. 2009 Feb;49(2):195-208. doi: 10.1021/ci800302g. J Chem Inf Model. 2009. PMID: 19434823
Emergence of Small-Molecule Non-RGD-Mimetic Inhibitors for RGD Integrins.
Miller LM, Pritchard JM, Macdonald SJF, Jamieson C, Watson AJB. Miller LM, et al. Among authors: pritchard jm. J Med Chem. 2017 Apr 27;60(8):3241-3251. doi: 10.1021/acs.jmedchem.6b01711. Epub 2017 Feb 15. J Med Chem. 2017. PMID: 28135089 Free article. Review.
A Turing Test for Molecular Generators.
Bush JT, Pogany P, Pickett SD, Barker M, Baxter A, Campos S, Cooper AWJ, Hirst D, Inglis G, Nadin A, Patel VK, Poole D, Pritchard J, Washio Y, White G, Green DVS. Bush JT, et al. J Med Chem. 2020 Oct 22;63(20):11964-11971. doi: 10.1021/acs.jmedchem.0c01148. Epub 2020 Oct 12. J Med Chem. 2020. PMID: 32955254
Structure-Activity Relationships of Small Molecule Autotaxin Inhibitors with a Discrete Binding Mode.
Miller LM, Keune WJ, Castagna D, Young LC, Duffy EL, Potjewyd F, Salgado-Polo F, Engel García P, Semaan D, Pritchard JM, Perrakis A, Macdonald SJ, Jamieson C, Watson AJ. Miller LM, et al. Among authors: pritchard jm. J Med Chem. 2017 Jan 26;60(2):722-748. doi: 10.1021/acs.jmedchem.6b01597. Epub 2017 Jan 5. J Med Chem. 2017. PMID: 27982588 Free article.
Discovery of ( S)-3-(3-(3,5-Dimethyl-1 H-pyrazol-1-yl)phenyl)-4-(( R)-3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl)pyrrolidin-1-yl)butanoic Acid, a Nonpeptidic αvβ6 Integrin Inhibitor for the Inhaled Treatment of Idiopathic Pulmonary Fibrosis.
Procopiou PA, Anderson NA, Barrett J, Barrett TN, Crawford MHJ, Fallon BJ, Hancock AP, Le J, Lemma S, Marshall RP, Morrell J, Pritchard JM, Rowedder JE, Saklatvala P, Slack RJ, Sollis SL, Suckling CJ, Thorp LR, Vitulli G, Macdonald SJF. Procopiou PA, et al. Among authors: pritchard jm. J Med Chem. 2018 Sep 27;61(18):8417-8443. doi: 10.1021/acs.jmedchem.8b00959. Epub 2018 Sep 14. J Med Chem. 2018. PMID: 30215258
Profile of a Highly Selective Quaternized Pyrrolidine Betaine αvβ6 Integrin Inhibitor-(3S)-3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl)-4-((1S and 1R,3R)-1-methyl-3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl)pyrrolidin-1-ium-1-yl)butanoate Synthesized by Stereoselective Methylation.
Barrett TN, Taylor JA, Barker D, Procopiou PA, Thompson JDF, Barrett J, Le J, Lynn SM, Pogany P, Pratley C, Pritchard JM, Roper JA, Rowedder JE, Slack RJ, Vitulli G, Macdonald SJF, Kerr WJ. Barrett TN, et al. Among authors: pritchard jm. J Med Chem. 2019 Aug 22;62(16):7543-7556. doi: 10.1021/acs.jmedchem.9b00819. Epub 2019 Aug 5. J Med Chem. 2019. PMID: 31381331 Free article.
32 results