Synthesis, Biological Evaluation, and Structure–Activity Relationships of Potent Noncovalent and Nonpeptidic Cruzain Inhibitors as Anti-Trypanosoma cruzi Agents
Ferreira, Rafaela S, Dessoy, Marco A, Pauli, Ivani, Souza, Mariana L, Krogh, Renata, Sales, Ana I. L, Oliva, Glaucius, Dias, Luiz C, Andricopulo, Adriano D
Published in Journal of medicinal chemistry (27.03.2014)
Published in Journal of medicinal chemistry (27.03.2014)
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Journal Article
Identification of a Prenyl Chalcone as a Competitive Lipoxygenase Inhibitor: Screening, Biochemical Evaluation and Molecular Modeling Studies
Zeraik, Maria Luiza, Pauli, Ivani, Dutra, Luiz A, Cruz, Raquel S, Valli, Marilia, Paracatu, Luana C, de Faria, Carolina M Q G, Ximenes, Valdecir F, Regasini, Luis O, Andricopulo, Adriano D, Bolzani, Vanderlan S
Published in Molecules (Basel, Switzerland) (12.04.2021)
Published in Molecules (Basel, Switzerland) (12.04.2021)
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Journal Article
Multiparameter Optimization of Trypanocidal Cruzain Inhibitors With In Vivo Activity and Favorable Pharmacokinetics
Pauli, Ivani, Rezende, Jr, Celso de O, Slafer, Brian W, Dessoy, Marco A, de Souza, Mariana L, Ferreira, Leonardo L G, Adjanohun, Abraham L M, Ferreira, Rafaela S, Magalhães, Luma G, Krogh, Renata, Michelan-Duarte, Simone, Del Pintor, Ricardo Vaz, da Silva, Fernando B R, Cruz, Fabio C, Dias, Luiz C, Andricopulo, Adriano D
Published in Frontiers in pharmacology (05.01.2022)
Published in Frontiers in pharmacology (05.01.2022)
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Journal Article
Structure-Based and Molecular Modeling Studies for the Discovery of Cyclic Imides as Reversible Cruzain Inhibitors With Potent Anti- Trypanosoma cruzi Activity
Ferreira, Rafael A A, Pauli, Ivani, Sampaio, Thiago S, de Souza, Mariana L, Ferreira, Leonardo L G, Magalhães, Luma G, Rezende, Jr, Celso de O, Ferreira, Rafaela S, Krogh, Renata, Dias, Luiz C, Andricopulo, Adriano D
Published in Frontiers in chemistry (25.11.2019)
Published in Frontiers in chemistry (25.11.2019)
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Journal Article
Experimental, DFT and docking simulations of the binding of diapocynin to human serum albumin: induced circular dichroism
Venturini, Diego, Pastrello, Bruna, Zeraik, Maria Luiza, Pauli, Ivani, Andricopulo, Adriano Defini, Silva-Filho, Luiz Carlos, Bolzani, V. S., Morgon, Nelson Henrique, da Souza, A. R., Ximenes, Valdecir Farias
Published in RSC advances (01.01.2015)
Published in RSC advances (01.01.2015)
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Journal Article
Drug-binding databases
Timmers, Luís Fernando Saraiva Macedo, Pauli, Ivani, Caceres, Rafael Andrade, de Azevedo, Jr, Walter Filgueira
Published in Current drug targets (01.12.2008)
Published in Current drug targets (01.12.2008)
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Journal Article
Protein-drug interaction studies for development of drugs against Plasmodium falciparum
de Azevedo, Jr, Walter Filgueira, Caceres, Rafael Andrade, Pauli, Ivani, Timmers, Luís Fernando S M, Barcellos, Guy Barros, Rocha, Kelen Beiestorf, Soares, Milena Botelho Pereira
Published in Current drug targets (01.03.2009)
Published in Current drug targets (01.03.2009)
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Journal Article
Molecular recognition models: a challenge to overcome
Caceres, Rafael Andrade, Pauli, Ivani, Timmers, Luís Fernando Saraiva Macedo, de Azevedo, Jr, Walter Filgueira
Published in Current drug targets (01.12.2008)
Published in Current drug targets (01.12.2008)
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Journal Article
Genomic databases and the search of protein targets for protozoan parasites
Timmers, Luís Fernando S M, Pauli, Ivani, Barcellos, Guy Barros, Rocha, Kelen Beiestorf, Caceres, Rafael Andrade, de Azevedo, Jr, Walter Filgueira, Soares, Milena Botelho Pereira
Published in Current drug targets (01.03.2009)
Published in Current drug targets (01.03.2009)
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Journal Article
Structure-activity relationships of novel N -imidazoylpiperazines with potent anti- Trypanosoma cruzi activity
Espinoza-Chávez, Rocío Marisol, Oliveira Rezende Júnior, Celso de, de Souza, Mariana Laureano, Pauli, Ivani, Valli, Marilia, Gomes Ferreira, Leonardo Luiz, Chelucci, Rafael Consolin, Michelan-Duarte, Simone, Krogh, Renata, Romualdo da Silva, Fernando Bezerra, Cruz, Fábio Cardoso, de Oliveira, Aldo Sena, Andricopulo, Adriano Defini, Dias, Luiz Carlos
Published in Future medicinal chemistry (01.02.2024)
Published in Future medicinal chemistry (01.02.2024)
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Journal Article
Discovery of New Inhibitors of Mycobacterium tuberculosis InhA Enzyme Using Virtual Screening and a 3D-Pharmacophore-Based Approach
Pauli, Ivani, dos Santos, Ricardo N, Rostirolla, Diana C, Martinelli, Leonardo K, Ducati, Rodrigo G, Timmers, Luís F. S. M, Basso, Luiz A, Santos, Diógenes S, Guido, Rafael V. C, Andricopulo, Adriano D, Norberto de Souza, Osmar
Published in Journal of chemical information and modeling (23.09.2013)
Published in Journal of chemical information and modeling (23.09.2013)
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Journal Article
Chalcones and their B-aryl analogues as myeloperoxidase inhibitors: In silico, in vitro and ex vivo investigations
Santos, Mariana Bastos dos, Carvalho Marques, Beatriz, Miranda Ayusso, Gabriela, Rocha Garcia, Mayara Aparecida, Chiquetto Paracatu, Luana, Pauli, Ivani, Silva Bolzani, Vanderlan, Defini Andricopulo, Adriano, Farias Ximenes, Valdecir, Zeraik, Maria Luiza, Regasini, Luis Octavio
Published in Bioorganic chemistry (01.05.2021)
Published in Bioorganic chemistry (01.05.2021)
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Journal Article
Functional, thermodynamics, structural and biological studies of in silico-identified inhibitors of Mycobacterium tuberculosis enoyl-ACP(CoA) reductase enzyme
Martinelli, Leonardo K B, Rotta, Mariane, Villela, Anne D, Rodrigues-Junior, Valnês S, Abbadi, Bruno L, Trindade, Rogério V, Petersen, Guilherme O, Danesi, Giuliano M, Nery, Laura R, Pauli, Ivani, Campos, Maria M, Bonan, Carla D, de Souza, Osmar Norberto, Basso, Luiz A, Santos, Diogenes S
Published in Scientific reports (24.04.2017)
Published in Scientific reports (24.04.2017)
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Journal Article
Molecular modeling and dynamics studies of Shikimate Kinase from Bacillus anthracis
Pauli, Ivani, Caceres, Rafael Andrade, de Azevedo, Walter Filgueira
Published in Bioorganic & medicinal chemistry (01.09.2008)
Published in Bioorganic & medicinal chemistry (01.09.2008)
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Journal Article
Conformational changes in 2-trans-enoyl-ACP (CoA) reductase (InhA) from M. tuberculosis induced by an inorganic complex: a molecular dynamics simulation study
da Costa, André L. P., Pauli, Ivani, Dorn, Márcio, Schroeder, Evelyn K., Zhan, Chang-Guo, Norberto de Souza, Osmar
Published in Journal of molecular modeling (01.05.2012)
Published in Journal of molecular modeling (01.05.2012)
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Journal Article
Experimental, DFT and docking simulations of the binding of diapocynin to human serum albumin: induced circular dichroismElectronic supplementary information (ESI) available. See DOI: 10.1039/c5ra10960d
Venturini, Diego, Pastrello, Bruna, Zeraik, Maria Luiza, Pauli, Ivani, Andricopulo, Adriano Defini, Silva-Filho, Luiz Carlos, Bolzani, V. S, Morgon, Nelson Henrique, da Souza, A. R, Ximenes, Valdecir Farias
Year of Publication 20.07.2015
Year of Publication 20.07.2015
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Journal Article
Molecular modeling and dynamics studies of purine nucleoside phosphorylase from Bacteroides fragilis
Pauli, Ivani, Macedo Timmers, Luis Fernando Saraiva, Andrade Caceres, Rafael, Augusto Basso, Luiz, Santiago Santos, Diógenes, Filgueira de Azevedo Jr, Walter
Published in Journal of molecular modeling (01.08.2009)
Published in Journal of molecular modeling (01.08.2009)
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Journal Article