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Bend and Snap: Computationally Exploring the Helix Bias for Classifying Abl Kinase Allosteric Modulators
Leite, Pedro Tenório TF; Fernandes, Philipe O; Martins, Diego M; Almeida, Rafael Lopes; Pöhner, Ina; Moraes, Adolfo H; Kronenberger, Thales; Maltarollo, Vinícius G, 2026, Journal of chemical information and modeling, 66, 16, 10302–10317. A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä -
Capsaicin-Inspired Hydroxamate Hybrids as Selective HDAC6 Inhibitors with Antiproliferative Activity in Hematological Malignancies
Gimenez Borges, Lara; Alves, Thais Nascimento de Oliveira; Vassiliades, Sandra Valeria; Carlos, Jorge Antonio Elias Godoy; Waitman, Karoline de Barros; Hilscher, Sebastian; Schutkowski, Mike; Sippl, Wolfgang; Tavares, Maurício Temotheo; Toledo, Monica Franco Zannini Junqueira; Costa-Lotufo, Letícia Veras; Kronenberger, Thales; Machado-Neto, João Agostinho; Parise-Filho, Roberto, 2026, ACS omega, 11, 5, 8415-8430. A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä -
Identification of an N-methylpyrazole derivative as a selective inhibitor of breast cancer resistance protein (BCRP/ABCG2)
Siridó, Andrezza Braiane Ferreira; Gomes de Oliveira, Arthur Henrique; Poletto, Julia; Kronenberger, Thales; Rego, Fabiane Gomes de Moraes; Picheth, Geraldo; Le Borgne, Marc; Boumendjel, Ahcène; Rosa, Fernanda Andreia; Valdameri, Glaucio; Moure, Vivian Rotuno, 2026, Archives of biochemistry and biophysics, 779, 110761. A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä -
Inhibitors Targeting SARS‐CoV‐2 Papain‐Like Protease: Screening, Design, Synthesis, and Biological Evaluation
Iuga, Elena‐Oriana; Gone, Nilu; de Godoy, Mariana Ortiz; Verissimo, Gabriel Correa; de Jesus Agostinetto, Giovanna; Urich, Liam; Krüger, Nadine; Kronenberger, Thales; Guido, Rafael Victorio Carvalho; O’Donoghue, Anthony J; Laufer, Stefan A; Pillaiyar, Thanigaimalai, 2026, Chemmedchem, 21, 9, e202600007. A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä -
Machine Learning Classification Models for the Design of Novel Nitroimidazole Derivatives with Anti-Trichomonas vaginalis Activity
Verissimo, Gabriel Correa; Antoniassi, Anand Miranda; Rezende, Laura Goncalves; Lamego, Victor Rocha; dos Santos, Wanderleya Toledo; de Paula, Ana Claudia Chagas; Jaeger, Lauren Hubert; Kronenberger, Thales; de Oliveira, Renata Barbosa; Maltarollo, Vinicius Goncalves, 2026, ACS omega, [Epub ahead of print 23 July 2026], 1-13. A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä -
Repositioning HDAC Inhibitors for Glioma Treatment: Synthesis and Biological Evaluation
Furtado, Luciana Costa; Waitman, Karoline de Barros; Silva, Nuno ATF; Gouvea, Leticia Marcelino; Kronenberger, Thales; Toledo, Mônica Franco Zannini Junqueira; Ferreira, Elthon Gois; Machado-Neto, João Agostinho; Kruyt, Frank A E; Parise Filho, Roberto; Costa-Lotufo, Letícia V, 2026, ACS omega, 11, 6, 10104-10120. A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä -
Repurposing 6-Anilinopurine Derivatives ThatExhibit PfHDAC1 Inhibition and Antimalarial Activity against Asexualand Sexual Stages of
Dias, Barbara K. M.; Maiolini, Pedro N.; Santos, Natacha Diesca; Waitman, Karoline B.; Tavares, Mauricio T.; Verotti, Joao P. F.; Toledo, Monica F. Z. J.; Kronenberger, Thales; Parise-Filho, Roberto; Garcia, Celia R. S., 2026, ACS omega, 11, 28, 41385-41395. A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä -
Riding toward Selectivity: Optimization of Covalent7-Azaindole-Based BMX Kinase Inhibitors
Liang, Xiaojun Julia; Albertini, Claudia; Kronenberger, Thales; Shevchenko, Ekaterina; Rasch, Alexander; Berger, Benedict-Tilman; Schwalm, Martin; Berger, Lena Marie; Krämer, Andreas; Serafim, Ricardo A M; Forster, Michael; Chaikuad, Apirat; Bolognesi, Maria Laura; Müller, Susanne; Poso, Antti; Laufer, Stefan; Knapp, Stefan; Gehringer, Matthias, 2026, Journal of medicinal chemistry, 69, 14, 17416-17447. A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä -
The metabolome of an E. coli CRISPRi library identifies benefits of minimal metabolite levels and targets for engineering
Rapp, Johanna; Verhülsdonk, Andreas; Garcke, Anton; Stadelmann, Amelie; Farke, Niklas; Troßmann, Felicia; Kronenberger, Thales; Alvarado, Alejandra; Petras, Daniel; Link, Hannes, 2026, Cell systems, 17, 4, 101518. A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä -
Underexplored Ligand-Binding Features of FabI From Staphylococcus aureus and Escherichia coli: A Comparative Pharmacophoric Modeling and Surface Mapping Approach
Leite, Pedro Tenorio T F; Ocarino, Lucas H S; Verissimo, Gabriel C; Fernandes, Philipe O; Pereira, Dara Fernanda; Oliveira, Fernanda Kelly M e; Marban-Gonzalez, Alberto; Medina-Franco, Jose L; Serafim, Mateus Sa M; Kronenberger, Thales; Maltarollo, Vinicius G, 2026, Chemmedchem, 21, 15, e70410. A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä