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Design, synthesis and stepwise optimization of nitrile-based inhibitors of cathepsins B and L.
Bioorg Med Chem. 2021 Jan 1;29:115827. doi: 10.1016/j.bmc.2020.115827. Epub 2020 Nov 16.
Bioorg Med Chem. 2021.
PMID: 33254069
Optimization strategy of single-digit nanomolar cross-class inhibitors of mammalian and protozoa cysteine proteases.
Cianni L, Rocho FDR, Rosini F, Bonatto V, Ribeiro JFR, Lameira J, Leitão A, Shamim A, Montanari CA.
Cianni L, et al. Among authors: rocho fdr.
Bioorg Chem. 2020 Aug;101:104039. doi: 10.1016/j.bioorg.2020.104039. Epub 2020 Jun 24.
Bioorg Chem. 2020.
PMID: 32629285
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Mapping the S1 and S1' subsites of cysteine proteases with new dipeptidyl nitrile inhibitors as trypanocidal agents.
Cianni L, Lemke C, Gilberg E, Feldmann C, Rosini F, Rocho FDR, Ribeiro JFR, Tezuka DY, Lopes CD, de Albuquerque S, Bajorath J, Laufer S, Leitão A, Gütschow M, Montanari CA.
Cianni L, et al. Among authors: rocho fdr.
PLoS Negl Trop Dis. 2020 Mar 12;14(3):e0007755. doi: 10.1371/journal.pntd.0007755. eCollection 2020 Mar.
PLoS Negl Trop Dis. 2020.
PMID: 32163418
Free PMC article.
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Organometallic Gold(III) Complex [Au(Hdamp)(L14)]+ (L1 = SNS-Donating Thiosemicarbazone) as a Candidate to New Formulations against Chagas Disease.
Lopes CD, Possato B, Gaspari APS, Oliveira RJ, Abram U, Almeida JPA, Rocho FDR, Leitão A, Montanari CA, Maia PIS, da Silva JS, de Albuquerque S, Carneiro ZA.
Lopes CD, et al. Among authors: rocho fdr.
ACS Infect Dis. 2019 Oct 11;5(10):1698-1707. doi: 10.1021/acsinfecdis.8b00284. Epub 2019 Aug 26.
ACS Infect Dis. 2019.
PMID: 31419384
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Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations.
Bonatto V, Shamim A, Rocho FDR, Leitão A, Luque FJ, Lameira J, Montanari CA.
Bonatto V, et al. Among authors: rocho fdr.
J Chem Inf Model. 2021 Sep 27;61(9):4733-4744. doi: 10.1021/acs.jcim.1c00515. Epub 2021 Aug 30.
J Chem Inf Model. 2021.
PMID: 34460252
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