J. Ribeiro

发表

Similarity search combined with docking and molecular dynamics for novel hAChE inhibitor scaffolds

N. M. Borges, G. Sartori, J. Ribeiro, 2018, Journal of Molecular Modeling.

Synthesis and structure-activity relationship of nitrile-based cruzain inhibitors incorporating a trifluoroethylamine-based P2 amide replacement.

P. Kenny, A. Leitão, D. De Vita, 2019, Bioorganic & medicinal chemistry.

Hydrogen Bond Basicity Prediction for Medicinal Chemistry Design.

Igor M. Prokopczyk, P. Kenny, G. Sartori, 2016, Journal of medicinal chemistry.

Mapping the S1 and S1’ subsites of cysteine proteases with new dipeptidyl nitrile inhibitors as trypanocidal agents

J. Bajorath, Erik Gilberg, M. Gütschow, 2020, PLoS neglected tropical diseases.

Molecular design aided by random forests and synthesis of potent trypanocidal agents as cruzain inhibitors for Chagas disease treatment

C. Laughton, A. Leitão, D. De Vita, 2020, Chemical biology & drug design.

Mapping the S1 and S1’ subsites of cysteine proteases with new dipeptidyl nitrile inhibitors as trypanocidal agents

J. Bajorath, Erik Gilberg, M. Gütschow, 2019, bioRxiv.

Optimization strategy of single-digit nanomolar cross-class inhibitors of mammalian and protozoa cysteine proteases.

J. Lameira, A. Leitão, J. Ribeiro, 2020, Bioorganic chemistry.

Integration of methods in cheminformatics and biocalorimetry for the design of trypanosomatid enzyme inhibitors.

Igor M. Prokopczyk, J. Silva, A. Leitão, 2014, Future medicinal chemistry.

Crystal structure of Leishmania mexicana cysteine protease B in complex with a high-affinity azadipeptide nitrile inhibitor.

Chan Li, J. Emsley, J. Lameira, 2020, Bioorganic & medicinal chemistry.

Structural studies on dihydropyrimidine derivatives as Mycobacterium tuberculosis coenzyme-A carboxylase inhibitors

A. Ayala, H. Napolitano, J. Ribeiro, 2019, Zeitschrift für Kristallographie - Crystalline Materials.

Anti-trypanosomal activity of non-peptidic nitrile-based cysteine protease inhibitors

P. Kenny, A. Leitão, J. Ribeiro, 2017, PLoS neglected tropical diseases.

Molecular Design, Synthesis and Trypanocidal Activity of Dipeptidyl Nitriles as Cruzain Inhibitors

J. McKerrow, L. Avelar, P. Kenny, 2015, PLoS neglected tropical diseases.

A structure-based approach for the discovery of inhibitors against methylcitrate synthase of Paracoccidioides lutzii

Maristela Pereira, C. M. Soares, B. J. Neves, 2021, Journal of biomolecular structure & dynamics.

The influence of hydrogen bonding on partition coefficients

Carlos A. Montanari, Peter W. Kenny, Josmar R. Rocha, 2017, Journal of Computer-Aided Molecular Design.

A comparative study of warheads for design of cysteine protease inhibitors.

P. Kenny, A. Leitão, D. De Vita, 2017, Bioorganic & medicinal chemistry letters.