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Structure-Based and Molecular Modeling Studies for the Discovery of Cyclic Imides as Reversible Cruzain Inhibitors With Potent Anti-Trypanosoma cruzi Activity.
Ferreira RAA, Pauli I, Sampaio TS, de Souza ML, Ferreira LLG, Magalhães LG, Rezende CO Jr, Ferreira RS, Krogh R, Dias LC, Andricopulo AD. Ferreira RAA, et al. Among authors: pauli i. Front Chem. 2019 Nov 25;7:798. doi: 10.3389/fchem.2019.00798. eCollection 2019. Front Chem. 2019. PMID: 31824926 Free PMC article.
Multiparameter Optimization of Trypanocidal Cruzain Inhibitors With In Vivo Activity and Favorable Pharmacokinetics.
Pauli I, Rezende CO Jr, Slafer BW, Dessoy MA, de Souza ML, Ferreira LLG, Adjanohun ALM, Ferreira RS, Magalhães LG, Krogh R, Michelan-Duarte S, Del Pintor RV, da Silva FBR, Cruz FC, Dias LC, Andricopulo AD. Pauli I, et al. Front Pharmacol. 2022 Jan 5;12:774069. doi: 10.3389/fphar.2021.774069. eCollection 2021. Front Pharmacol. 2022. PMID: 35069198 Free PMC article.
Molecular modeling as a tool for drug discovery.
Barcellos GB, Pauli I, Caceres RA, Timmers LF, Dias R, de Azevedo WF Jr. Barcellos GB, et al. Among authors: pauli i. Curr Drug Targets. 2008 Dec;9(12):1084-91. doi: 10.2174/138945008786949388. Curr Drug Targets. 2008. PMID: 19128219 Review.
Chalcones and their B-aryl analogues as myeloperoxidase inhibitors: In silico, in vitro and ex vivo investigations.
Santos MBD, Carvalho Marques B, Miranda Ayusso G, Rocha Garcia MA, Chiquetto Paracatu L, Pauli I, Silva Bolzani V, Defini Andricopulo A, Farias Ximenes V, Zeraik ML, Regasini LO. Santos MBD, et al. Among authors: pauli i. Bioorg Chem. 2021 May;110:104773. doi: 10.1016/j.bioorg.2021.104773. Epub 2021 Mar 2. Bioorg Chem. 2021. PMID: 33744807
36 results