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Anti-trypanosomal activity of non-peptidic nitrile-based cysteine protease inhibitors.
Burtoloso AC, de Albuquerque S, Furber M, Gomes JC, Gonçalez C, Kenny PW, Leitão A, Montanari CA, Quilles JC Júnior, Ribeiro JF, Rocha JR. Burtoloso AC, et al. Among authors: kenny pw. PLoS Negl Trop Dis. 2017 Feb 21;11(2):e0005343. doi: 10.1371/journal.pntd.0005343. eCollection 2017 Feb. PLoS Negl Trop Dis. 2017. PMID: 28222138 Free PMC article.
A comparative study of warheads for design of cysteine protease inhibitors.
Silva DG, Ribeiro JFR, De Vita D, Cianni L, Franco CH, Freitas-Junior LH, Moraes CB, Rocha JR, Burtoloso ACB, Kenny PW, Leitão A, Montanari CA. Silva DG, et al. Among authors: kenny pw. Bioorg Med Chem Lett. 2017 Nov 15;27(22):5031-5035. doi: 10.1016/j.bmcl.2017.10.002. Epub 2017 Oct 3. Bioorg Med Chem Lett. 2017. PMID: 29054358
Automated molecule editing in molecular design.
Kenny PW, Montanari CA, Prokopczyk IM, Sala FA, Sartori GR. Kenny PW, et al. J Comput Aided Mol Des. 2013 Aug;27(8):655-64. doi: 10.1007/s10822-013-9676-0. Epub 2013 Sep 4. J Comput Aided Mol Des. 2013. PMID: 24002455
Ligand efficiency metrics considered harmful.
Kenny PW, Leitão A, Montanari CA. Kenny PW, et al. J Comput Aided Mol Des. 2014 Jul;28(7):699-710. doi: 10.1007/s10822-014-9757-8. Epub 2014 Jun 5. J Comput Aided Mol Des. 2014. PMID: 24899110
Molecular Design, Synthesis and Trypanocidal Activity of Dipeptidyl Nitriles as Cruzain Inhibitors.
Avelar LA, Camilo CD, de Albuquerque S, Fernandes WB, Gonçalez C, Kenny PW, Leitão A, McKerrow JH, Montanari CA, Orozco EV, Ribeiro JF, Rocha JR, Rosini F, Saidel ME. Avelar LA, et al. Among authors: kenny pw. PLoS Negl Trop Dis. 2015 Jul 14;9(7):e0003916. doi: 10.1371/journal.pntd.0003916. eCollection 2015. PLoS Negl Trop Dis. 2015. PMID: 26173110 Free PMC article.
45 results