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Crystal structure of Leishmania mexicana cysteine protease B in complex with a high-affinity azadipeptide nitrile inhibitor.
Bioorg Med Chem. 2020 Nov 15;28(22):115743. doi: 10.1016/j.bmc.2020.115743. Epub 2020 Sep 6.
Bioorg Med Chem. 2020.
PMID: 33038787
Synthesis and structure-activity relationship of nitrile-based cruzain inhibitors incorporating a trifluoroethylamine-based P2 amide replacement.
Gomes JC, Cianni L, Ribeiro J, Dos Reis Rocho F, da Costa Martins Silva S, Batista PHJ, Moraes CB, Franco CH, Freitas-Junior LHG, Kenny PW, Leitão A, Burtoloso ACB, de Vita D, Montanari CA.
Gomes JC, et al. Among authors: dos reis rocho f.
Bioorg Med Chem. 2019 Nov 15;27(22):115083. doi: 10.1016/j.bmc.2019.115083. Epub 2019 Aug 28.
Bioorg Med Chem. 2019.
PMID: 31561938
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Synthesis and matched molecular pair analysis of covalent reversible inhibitors of the cysteine protease CPB.
Matos TKB, Batista PHJ, Dos Reis Rocho F, de Vita D, Pearce N, Kellam B, Montanari CA, Leitão A.
Matos TKB, et al. Among authors: dos reis rocho f.
Bioorg Med Chem Lett. 2020 Sep 15;30(18):127439. doi: 10.1016/j.bmcl.2020.127439. Epub 2020 Jul 25.
Bioorg Med Chem Lett. 2020.
PMID: 32717373
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N-Sulfonyl dipeptide nitriles as inhibitors of human cathepsin S: In silico design, synthesis and biochemical characterization.
Lemke C, Cianni L, Feldmann C, Gilberg E, Yin J, Dos Reis Rocho F, de Vita D, Bartz U, Bajorath J, Montanari CA, Gütschow M.
Lemke C, et al. Among authors: dos reis rocho f.
Bioorg Med Chem Lett. 2020 Sep 15;30(18):127420. doi: 10.1016/j.bmcl.2020.127420. Epub 2020 Jul 17.
Bioorg Med Chem Lett. 2020.
PMID: 32763808
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Predicting the affinity of halogenated reversible covalent inhibitors through relative binding free energy.
Lameira J , Bonatto V , Cianni L , Dos Reis Rocho F , Leitão A , Montanari CA .
Lameira J , et al. Among authors: dos reis rocho f.
Phys Chem Chem Phys. 2019 Nov 28;21(44):24723-24730. doi: 10.1039/c9cp04820k. Epub 2019 Nov 4.
Phys Chem Chem Phys. 2019.
PMID: 31680132
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