Ivaní Pauli

Universidade de São Paulo — Brazil

Medicine · Health Sciences

14h-index464citations27works3.02yr avg
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Research Topics

Trypanosoma species research and implications(9), Biochemical and Molecular Research(9), Research on Leishmaniasis Studies(6), Synthesis and Biological Evaluation(6), Computational Drug Discovery Methods(5)

Publications27 total

Structure–Activity Relationships of Novel <i>N</i> -Imidazoylpiperazines with Potent Anti- <i>Trypanosoma Cruzi</i> Activity
Future Medicinal Chemistry·2024· 3 cited
Structure-Activity Relationships of Novel N-Imidazoylpiperazines with Potent Anti-Trypanosoma Cruzi Activity
SSRN Electronic Journal·2023Open Access
Multiparameter Optimization of Trypanocidal Cruzain Inhibitors With In Vivo Activity and Favorable Pharmacokinetics
Frontiers in Pharmacology·2022· 15 citedOpen Access
Identification of a Prenyl Chalcone as a Competitive Lipoxygenase Inhibitor: Screening, Biochemical Evaluation and Molecular Modeling Studies
Molecules·2021· 14 citedOpen Access
Chalcones and their B-aryl analogues as myeloperoxidase inhibitors: In silico, in vitro and ex vivo investigations
Bioorganic Chemistry·2021· 14 citedOpen Access
Structure-Based and Molecular Modeling Studies for the Discovery of Cyclic Imides as Reversible Cruzain Inhibitors With Potent Anti-Trypanosoma cruzi Activity
Frontiers in Chemistry·2019· 33 citedOpen Access
Molecular Modeling and Structure–Activity Relationships for a Series of Benzimidazole Derivatives as Cruzain Inhibitors
Future Medicinal Chemistry·2017· 21 citedOpen Access
Functional, thermodynamics, structural and biological studies of in silico-identified inhibitors of Mycobacterium tuberculosis enoyl-ACP(CoA) reductase enzyme
Scientific Reports·2017· 15 citedOpen Access
Planejamento de inibidores da enzima cruzaína candidatos a fármacos para o tratamento da doença de Chagas
2016· 1 citedOpen Access
Design of new cruzain inhibitors as drug candidates for the treatment of Chagas\' disease
LA Referencia (Red Federada de Repositorios Institucionales de Publicaciones Científicas)·2016
Experimental, DFT and docking simulations of the binding of diapocynin to human serum albumin: induced circular dichroism
RSC Advances·2015· 10 citedOpen Access
Synthesis, Biological Evaluation, and Structure–Activity Relationships of Potent Noncovalent and Nonpeptidic Cruzain Inhibitors as Anti-<i>Trypanosoma cruzi</i> Agents
Journal of Medicinal Chemistry·2014· 74 citedOpen Access
Discovery of New Inhibitors of <i>Mycobacterium tuberculosis</i> InhA Enzyme Using Virtual Screening and a 3D-Pharmacophore-Based Approach
Journal of Chemical Information and Modeling·2013· 78 cited
Um modelo farmacofórico 3D baseado na estrutura da InhA de Mycobacterium tuberculosis para a triagem virtual em larga escala de novos candidatos a inibidores
Anais·2012
Conformational changes in 2-trans-enoyl-ACP (CoA) reductase (InhA) from M. tuberculosis induced by an inorganic complex: a molecular dynamics simulation study
Journal of Molecular Modeling·2011· 14 cited
Estudos in silico da interação da enzima InhA de Mycobacterium tuberculosis com pequenas moléculas do tipo fármaco
LA Referencia (Red Federada de Repositorios Institucionales de Publicaciones Científicas)·2011Open Access
Geração de um farmacóforo 3D baseado na estrutura da InhA de Mycobacterium tuberculosis para a triagem em larga escala de novos inibidores
Programa e Resumos·2011
Crystal structure and molecular dynamics studies of human purine nucleoside phosphorylase complexed with 7-deazaguanine
Journal of Structural Biology·2009· 9 cited
Bioinformatics Tools for Screening of Antiparasitic Drugs
Current Drug Targets·2009· 15 citedOpen Access
Genomic Databases and the Search of Protein Targets for Protozoan Parasites
Current Drug Targets·2009· 11 citedOpen Access
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Frequent Co-authors

Adriano D. Andricopulo(12), Luís Fernando Saraiva Macedo Timmers(10), Rafael Andrade Caceres(10), Walter Filgueira de Azevedo(10), Luiz Augusto Basso(6), Diógenes Santiago Santos(6), Mariana Laureano de Souza(6), Osmar Norberto de Souza(5), Renata Krogh(5), Luiz C. Dias(5), Leonardo L. G. Ferreira(5), Rafaela Salgado Ferreira(4), Celso de Oliveira Rezende Júnior(4), Milena Botelho Pereira Soares(4), Ricardo Nascimento dos Santos(3), Leonardo Martinelli(3), Rodrigo G. Ducati(3), Rafael V. C. Guido(3), Marco A. Dessoy(3), Guy Barros Barcellos(3)