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Active Search for Computer-aided Drug Design.
Oglic D, Oatley SA, Macdonald SJF, Mcinally T, Garnett R, Hirst JD, Gärtner T. Oglic D, et al. Among authors: macdonald sjf. Mol Inform. 2018 Jan;37(1-2). doi: 10.1002/minf.201700130. Epub 2018 Feb 1. Mol Inform. 2018. PMID: 29388736
Molecular Simulation of αvβ6 Integrin Inhibitors.
Guest EE, Oatley SA, Macdonald SJF, Hirst JD. Guest EE, et al. Among authors: macdonald sjf. J Chem Inf Model. 2020 Nov 23;60(11):5487-5498. doi: 10.1021/acs.jcim.0c00254. Epub 2020 Jun 2. J Chem Inf Model. 2020. PMID: 32421320
Structure Activity Relationships of αv Integrin Antagonists for Pulmonary Fibrosis by Variation in Aryl Substituents.
Adams J, Anderson EC, Blackham EE, Chiu YW, Clarke T, Eccles N, Gill LA, Haye JJ, Haywood HT, Hoenig CR, Kausas M, Le J, Russell HL, Smedley C, Tipping WJ, Tongue T, Wood CC, Yeung J, Rowedder JE, Fray MJ, McInally T, Macdonald SJ. Adams J, et al. ACS Med Chem Lett. 2014 Sep 19;5(11):1207-12. doi: 10.1021/ml5002079. eCollection 2014 Nov 13. ACS Med Chem Lett. 2014. PMID: 25408832 Free PMC article.
Design and Elaboration of a Tractable Tricyclic Scaffold To Synthesize Druglike Inhibitors of Dipeptidyl Peptidase-4 (DPP-4), Antagonists of the C-C Chemokine Receptor Type 5 (CCR5), and Highly Potent and Selective Phosphoinositol-3 Kinase δ (PI3Kδ) Inhibitors.
Schwehm C, Kellam B, Garces AE, Hill SJ, Kindon ND, Bradshaw TD, Li J, Macdonald SJ, Rowedder JE, Stoddart LA, Stocks MJ. Schwehm C, et al. J Med Chem. 2017 Feb 23;60(4):1534-1554. doi: 10.1021/acs.jmedchem.6b01801. Epub 2017 Feb 10. J Med Chem. 2017. PMID: 28128944 Free article.
78 results