Publications by authors named "Ivani Pauli"

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Structure-activity relationships of novel -imidazoylpiperazines with potent anti- activity.
Rocío Marisol Espinoza-Chávez, Celso de Oliveira Rezende Júnior, Mariana Laureano de Souza, Ivani Pauli, Marilia Valli

Future Med Chem· February 2024

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Multiparameter Optimization of Trypanocidal Cruzain Inhibitors With Activity and Favorable Pharmacokinetics.
Ivani Pauli, Celso de O Rezende, Brian W Slafer, Marco A Dessoy, Mariana L de Souza

Front Pharmacol· January 2022

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Chalcones and their B-aryl analogues as myeloperoxidase inhibitors: In silico, in vitro and ex vivo investigations.
Mariana Bastos Dos Santos, Beatriz Carvalho Marques, Gabriela Miranda Ayusso, Mayara Aparecida Rocha Garcia, Luana Chiquetto Paracatu, Ivani Pauli

Bioorg Chem· May 2021

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Identification of a Prenyl Chalcone as a Competitive Lipoxygenase Inhibitor: Screening, Biochemical Evaluation and Molecular Modeling Studies.
Maria Luiza Zeraik, Ivani Pauli, Luiz A Dutra, Raquel S Cruz, Marilia Valli

Molecules· April 2021

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Structure-Based and Molecular Modeling Studies for the Discovery of Cyclic Imides as Reversible Cruzain Inhibitors With Potent Anti- Activity.
Rafael A A Ferreira, Ivani Pauli, Thiago S Sampaio, Mariana L de Souza, Leonardo L G Ferreira

Front Chem· November 2019

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Molecular modeling and structure-activity relationships for a series of benzimidazole derivatives as cruzain inhibitors.
Ivani Pauli, Leonardo G Ferreira, Mariana L de Souza, Glaucius Oliva, Rafaela S Ferreira

Future Med Chem· May 2017

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Functional, thermodynamics, structural and biological studies of in silico-identified inhibitors of Mycobacterium tuberculosis enoyl-ACP(CoA) reductase enzyme.
Leonardo K B Martinelli, Mariane Rotta, Anne D Villela, Valnês S Rodrigues-Junior, Bruno L Abbadi, Ivani Pauli

Sci Rep· April 2017

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Synthesis, biological evaluation, and structure-activity relationships of potent noncovalent and nonpeptidic cruzain inhibitors as anti-Trypanosoma cruzi agents.
Rafaela S Ferreira, Marco A Dessoy, Ivani Pauli, Mariana L Souza, Renata Krogh

J Med Chem· March 2014

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Discovery of new inhibitors of Mycobacterium tuberculosis InhA enzyme using virtual screening and a 3D-pharmacophore-based approach.
Ivani Pauli, Ricardo N dos Santos, Diana C Rostirolla, Leonardo K Martinelli, Rodrigo G Ducati

J Chem Inf Model· September 2013

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Conformational changes in 2-trans-enoyl-ACP (CoA) reductase (InhA) from M. tuberculosis induced by an inorganic complex: a molecular dynamics simulation study.
André L P da Costa, Ivani Pauli, Márcio Dorn, Evelyn K Schroeder, Chang-Guo Zhan

J Mol Model· May 2012

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Crystal structure and molecular dynamics studies of human purine nucleoside phosphorylase complexed with 7-deazaguanine.
Rafael Andrade Caceres, Luis Fernando Saraiva Macedo Timmers, Ivani Pauli, Lisandra Marques Gava, Rodrigo Gay Ducati

J Struct Biol· March 2010

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Molecular modeling and dynamics studies of purine nucleoside phosphorylase from Bacteroides fragilis.
Ivani Pauli, Luis Fernando Saraiva Macedo Timmers, Rafael Andrade Caceres, Luiz Augusto Basso, Diógenes Santiago Santos

J Mol Model· August 2009

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Bioinformatics tools for screening of antiparasitic drugs.
Walter Filgueira de Azevedo, Raquel Dias, Luis Fernando Saraiva Macedo Timmers, Ivani Pauli, Rafael Andrade Caceres

Curr Drug Targets· March 2009

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Genomic databases and the search of protein targets for protozoan parasites.
Luís Fernando S M Timmers, Ivani Pauli, Guy Barros Barcellos, Kelen Beiestorf Rocha, Rafael Andrade Caceres

Curr Drug Targets· March 2009

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Protein-drug interaction studies for development of drugs against Plasmodium falciparum.
Walter Filgueira de Azevedo, Rafael Andrade Caceres, Ivani Pauli, Luís Fernando S M Timmers, Guy Barros Barcellos

Curr Drug Targets· March 2009

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In silico and in vitro: identifying new drugs.
Ivani Pauli, Luís Fernando Saraiva Macedo Timmers, Rafael Andrade Caceres, Milena Botelho Pereira Soares, Walter Filgueira de Azevedo

Curr Drug Targets· December 2008

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Molecular recognition models: a challenge to overcome.
Rafael Andrade Caceres, Ivani Pauli, Luís Fernando Saraiva Macedo Timmers, Walter Filgueira de Azevedo

Curr Drug Targets· December 2008

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Molecular modeling as a tool for drug discovery.
Guy Barros Barcellos, Ivani Pauli, Rafael Andrade Caceres, Luís Fernando Saraiva Macedo Timmers, Raquel Dias

Curr Drug Targets· December 2008

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Drug-binding databases.
Luís Fernando Saraiva Macedo Timmers, Ivani Pauli, Rafael Andrade Caceres, Walter Filgueira de Azevedo

Curr Drug Targets· December 2008

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Molecular modeling and dynamics studies of Shikimate Kinase from Bacillus anthracis.
Ivani Pauli, Rafael Andrade Caceres, Walter Filgueira de Azevedo

Bioorg Med Chem· September 2008

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