L. C. Martins

Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking

A. Ashworth, J. Irwin, B. Shoichet, 2020, Science Advances.

Bespoke library docking for 5-HT2A receptor agonists with antidepressant activity

Samuel T. Slocum, J. Irwin, B. Shoichet, 2022, Nature.

Discovery and characterization of trypanocidal cysteine protease inhibitors from the 'malaria box'.

R. S. Ferreira, H. Brandstetter, C. Caffrey, 2019, European journal of medicinal chemistry.

Docking a bespoke ultra-large tetrahydropyridine library identifies 5-HT2A receptor agonists conferring new biology

Samuel T. Slocum, J. Irwin, B. Shoichet, 2022 .

Synthesis of quinoline derivatives as potential cysteine protease inhibitors.

R. S. Ferreira, L. C. Martins, V. Maltarollo, 2020, Future medicinal chemistry.

Investigation of the binding mode of a novel cruzain inhibitor by docking, molecular dynamics, ab initio and MM/PBSA calculations

Luan Carvalho Martins, Pedro Henrique Monteiro Torres, Renata Barbosa de Oliveira, 2018, Journal of Computer-Aided Molecular Design.

Experimental and Computational Study of Aryl-thiosemicarbazones Inhibiting Cruzain Reveals Reversible Inhibition and a Stepwise Mechanism

R. S. Ferreira, J. Lameira, L. C. Martins, 2023, J. Chem. Inf. Model..

Screening the Pathogen Box to Discover and Characterize New Cruzain and TbrCatL Inhibitors

R. S. Ferreira, L. C. Martins, R. B. de Oliveira, 2023, Pathogens.

Synthesis and biological evaluation of potential inhibitors of the cysteine proteases cruzain and rhodesain designed by molecular simplification.

R. S. Ferreira, H. Brandstetter, A. Romanha, 2017, Bioorganic & medicinal chemistry.

Benzimidazole inhibitors of the major cysteine protease of Trypanosoma brucei.

R. S. Ferreira, K. Liedl, C. Caffrey, 2019, Future medicinal chemistry.

Synthesis, Design, and Structure‐Activity Relationship of a Benzenesulfonylpiperazine Series against Trypanosoma cruzi

R. S. Ferreira, L. C. Martins, S. Murta/, 2022, ChemMedChem.