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Structure-Guided Enhancement of Selectivity of Chemical Probe Inhibitors Targeting Bacterial Seryl-tRNA Synthetase.
Cain R, Salimraj R, Punekar AS, Bellini D, Fishwick CWG, Czaplewski L, Scott DJ, Harris G, Dowson CG, Lloyd AJ, Roper DI. Cain R, et al. J Med Chem. 2019 Nov 14;62(21):9703-9717. doi: 10.1021/acs.jmedchem.9b01131. Epub 2019 Nov 5. J Med Chem. 2019. PMID: 31626547
Profiling interactions of vaborbactam with metallo-β-lactamases.
Langley GW, Cain R, Tyrrell JM, Hinchliffe P, Calvopiña K, Tooke CL, Widlake E, Dowson CG, Spencer J, Walsh TR, Schofield CJ, Brem J. Langley GW, et al. Among authors: cain r. Bioorg Med Chem Lett. 2019 Aug 1;29(15):1981-1984. doi: 10.1016/j.bmcl.2019.05.031. Epub 2019 May 17. Bioorg Med Chem Lett. 2019. PMID: 31171422 Free PMC article.
Cyclic Boronates Inhibit All Classes of β-Lactamases.
Cahill ST, Cain R, Wang DY, Lohans CT, Wareham DW, Oswin HP, Mohammed J, Spencer J, Fishwick CW, McDonough MA, Schofield CJ, Brem J. Cahill ST, et al. Among authors: cain r. Antimicrob Agents Chemother. 2017 Mar 24;61(4):e02260-16. doi: 10.1128/AAC.02260-16. Print 2017 Apr. Antimicrob Agents Chemother. 2017. PMID: 28115348 Free PMC article.
Applications of structure-based design to antibacterial drug discovery.
Cain R, Narramore S, McPhillie M, Simmons K, Fishwick CW. Cain R, et al. Bioorg Chem. 2014 Aug;55:69-76. doi: 10.1016/j.bioorg.2014.05.008. Epub 2014 Jun 2. Bioorg Chem. 2014. PMID: 24962384 Review.
In Silico Fragment-Based Design Identifies Subfamily B1 Metallo-β-lactamase Inhibitors.
Cain R, Brem J, Zollman D, McDonough MA, Johnson RM, Spencer J, Makena A, Abboud MI, Cahill S, Lee SY, McHugh PJ, Schofield CJ, Fishwick CWG. Cain R, et al. J Med Chem. 2018 Feb 8;61(3):1255-1260. doi: 10.1021/acs.jmedchem.7b01728. Epub 2018 Jan 10. J Med Chem. 2018. PMID: 29271657 Free article.
Studies on the inhibition of AmpC and other β-lactamases by cyclic boronates.
Cahill ST, Tyrrell JM, Navratilova IH, Calvopiña K, Robinson SW, Lohans CT, McDonough MA, Cain R, Fishwick CWG, Avison MB, Walsh TR, Schofield CJ, Brem J. Cahill ST, et al. Among authors: cain r. Biochim Biophys Acta Gen Subj. 2019 Apr;1863(4):742-748. doi: 10.1016/j.bbagen.2019.02.004. Epub 2019 Feb 7. Biochim Biophys Acta Gen Subj. 2019. PMID: 30738906 Free article.
A chemical genomics approach to drug reprofiling in oncology: Antipsychotic drug risperidone as a potential adenocarcinoma treatment.
Dilly SJ, Clark AJ, Marsh A, Mitchell DA, Cain R, Fishwick CWG, Taylor PC. Dilly SJ, et al. Among authors: cain r. Cancer Lett. 2017 May 1;393:16-21. doi: 10.1016/j.canlet.2017.01.042. Epub 2017 Feb 8. Cancer Lett. 2017. PMID: 28188816 Free article.
Structural basis of metallo-β-lactamase, serine-β-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Brem J, Cain R, Cahill S, McDonough MA, Clifton IJ, Jiménez-Castellanos JC, Avison MB, Spencer J, Fishwick CW, Schofield CJ. Brem J, et al. Among authors: cain r. Nat Commun. 2016 Aug 8;7:12406. doi: 10.1038/ncomms12406. Nat Commun. 2016. PMID: 27499424 Free PMC article.
Assay platform for clinically relevant metallo-β-lactamases.
van Berkel SS, Brem J, Rydzik AM, Salimraj R, Cain R, Verma A, Owens RJ, Fishwick CW, Spencer J, Schofield CJ. van Berkel SS, et al. Among authors: cain r. J Med Chem. 2013 Sep 12;56(17):6945-53. doi: 10.1021/jm400769b. Epub 2013 Aug 16. J Med Chem. 2013. PMID: 23898798 Free PMC article.
Computational methods to identify new antibacterial targets.
McPhillie MJ, Cain RM, Narramore S, Fishwick CW, Simmons KJ. McPhillie MJ, et al. Among authors: cain rm. Chem Biol Drug Des. 2015 Jan;85(1):22-9. doi: 10.1111/cbdd.12385. Chem Biol Drug Des. 2015. PMID: 24974974
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