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A patent review on cathepsin K inhibitors to treat osteoporosis (2011 - 2021).
Expert Opin Ther Pat. 2022 May;32(5):561-573. doi: 10.1080/13543776.2022.2040480. Epub 2022 Mar 10.
Expert Opin Ther Pat. 2022.
PMID: 35137661
Review.
Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors.
da Costa CHS, Bonatto V, Dos Santos AM, Lameira J, Leitão A, Montanari CA.
da Costa CHS, et al. Among authors: bonatto v.
J Chem Inf Model. 2020 Feb 24;60(2):880-889. doi: 10.1021/acs.jcim.9b00847. Epub 2020 Jan 27.
J Chem Inf Model. 2020.
PMID: 31944110
Item in Clipboard
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: bonatto v.
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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Design, synthesis and stepwise optimization of nitrile-based inhibitors of cathepsins B and L.
Cianni L, Rocho FDR, Bonatto V, Martins FCP, Lameira J, Leitão A, Montanari CA, Shamim A.
Cianni L, et al. Among authors: bonatto v.
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
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On the intrinsic reactivity of highly potent trypanocidal cruzain inhibitors.
Bonatto V, Batista PHJ, Cianni L, De Vita D, Silva DG, Cedron R, Tezuka DY, de Albuquerque S, Moraes CB, Franco CH, Lameira J, Leitão A, Montanari CA.
Bonatto V, et al.
RSC Med Chem. 2020 Sep 9;11(11):1275-1284. doi: 10.1039/d0md00097c. eCollection 2020 Nov 18.
RSC Med Chem. 2020.
PMID: 34095840
Free PMC article.
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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.
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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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: bonatto v.
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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Nitriles: an attractive approach to the development of covalent inhibitors.
Bonatto V, Lameiro RF, Rocho FR, Lameira J, Leitão A, Montanari CA.
Bonatto V, et al.
RSC Med Chem. 2022 Nov 7;14(2):201-217. doi: 10.1039/d2md00204c. eCollection 2023 Feb 22.
RSC Med Chem. 2022.
PMID: 36846367
Free PMC article.
Review.
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