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Structure- and ligand-based drug design approaches for neglected tropical diseases.
Published in:
Pure & Applied Chemistry, 2012, v. 84, n. 9, p. 1857, doi. 10.1351/PAC-CON-11-11-07
By:
- Guido, Rafael V. C.;
- Oliva, Glaucius;
- Andricopulo, Adriano D.
Publication type:
Article
Editorial: Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design, Volume II.
Published in:
2022
By:
- Ferreira, Leonardo L. G.;
- Andricopulo, Adriano D.
Publication type:
Editorial
Susceptibility of Angiostrongylus cantonensis Larvae to Anthelmintic Drugs.
Published in:
Frontiers in Pharmacology, 2022, v. 13, p. 1, doi. 10.3389/fphar.2022.901459
By:
- Roquini, Daniel B.;
- Silva, Gabriel L.;
- Ferreira, Leonardo L. G.;
- Andricopulo, Adriano D.;
- Wilairatana, Polrat;
- De Moraes, Josué
Publication type:
Article
Navigating the Chemical Space and Chemical Multiverse of a Unified Latin American Natural Product Database: LANaPDB.
Published in:
Pharmaceuticals (14248247), 2023, v. 16, n. 10, p. 1388, doi. 10.3390/ph16101388
By:
- Gómez-García, Alejandro;
- Jiménez, Daniel A. Acuña;
- Zamora, William J.;
- Barazorda-Ccahuana, Haruna L.;
- Chávez-Fumagalli, Miguel Á.;
- Valli, Marilia;
- Andricopulo, Adriano D.;
- Bolzani, Vanderlan da S.;
- Olmedo, Dionisio A.;
- Solís, Pablo N.;
- Núñez, Marvin J.;
- Rodríguez Pérez, Johny R.;
- Valencia Sánchez, Hoover A.;
- Cortés Hernández, Héctor F.;
- Medina-Franco, José L.
Publication type:
Article
2-aminobenzimidazoles for leishmaniasis: From initial hit discovery to in vivo profiling.
Published in:
PLoS Neglected Tropical Diseases, 2021, v. 15, n. 2, p. 1, doi. 10.1371/journal.pntd.0009196
By:
- Ferreira, Rafael Augusto Alves;
- Junior, Celso de Oliveira Rezende;
- Martinez, Pablo David Grigol;
- Koovits, Paul John;
- Soares, Bruna Miranda;
- Ferreira, Leonardo L. G.;
- Michelan-Duarte, Simone;
- Chelucci, Rafael Consolin;
- Andricopulo, Adriano D.;
- Galuppo, Mariana K.;
- Uliana, Silvia R. B.;
- Matheeussen, An;
- Caljon, Guy;
- Maes, Louis;
- Campbell, Simon;
- Kratz, Jadel M.;
- Mowbray, Charles E.;
- Dias, Luiz Carlos
Publication type:
Article
Evaluation and discovery of novel benzothiazole derivatives as promising hits against Leishmania infantum.
Published in:
Chemical Biology & Drug Design, 2024, v. 103, n. 4, p. 1, doi. 10.1111/cbdd.14525
By:
- Lapierre, Thibault Joseph William Jacques Dit;
- Farago, Danilo Nascimento;
- de Moura Lodi Cruz, Mariza Gabriela Faleiro;
- de Melo Resende, Daniela;
- de Oliveira, Adriane Cristina Rosa;
- dos Santos, Brenda Rosa Macedo;
- de Oliveira Souza, Felipe;
- Michelan‐Duarte, Simone;
- Chelucci, Rafael C.;
- Andricopulo, Adriano D.;
- Ferreira, Leonardo L. G.;
- Pilau, Eduardo Jorge;
- Murta, Silvane Maria Fonseca;
- de Oliveira Rezende Júnior, Celso
Publication type:
Article
Hierarchical Clustering and Target-Independent QSAR for Antileishmanial Oxazole and Oxadiazole Derivatives.
Published in:
International Journal of Molecular Sciences, 2022, v. 23, n. 16, p. 8898, doi. 10.3390/ijms23168898
By:
- Teles, Henrique R.;
- Ferreira, Leonardo L. G.;
- Valli, Marilia;
- Coelho, Fernando;
- Andricopulo, Adriano D.
Publication type:
Article
Quantitative Structure–Activity Relationships for Structurally Diverse Chemotypes Having Anti-Trypanosoma cruzi Activity.
Published in:
International Journal of Molecular Sciences, 2019, v. 20, n. 11, p. 2801, doi. 10.3390/ijms20112801
By:
- de Souza, Anacleto S.;
- Ferreira, Leonardo L. G.;
- de Oliveira, Aldo S.;
- Andricopulo, Adriano D.
Publication type:
Article
Pattern Recognition Techniques Applied to the Study of Leishmanial Glyceraldehyde-3-Phosphate Dehydrogenase Inhibition.
Published in:
International Journal of Molecular Sciences, 2014, v. 15, n. 2, p. 3186, doi. 10.3390/ijms15023186
By:
- Lozano, Norka B. H.;
- Oliveira, Rafael F.;
- Weber, Karen C.;
- Honorio, Kathia M.;
- Guido, Rafael V. C.;
- Andricopulo, Adriano D.;
- de Sousa, Alexsandro G.;
- da Silva, Albérico B. F.
Publication type:
Article
Structure‐Metabolism Relationships of Benzimidazole Derivatives with anti‐Trypanosoma cruzi Activity for Chagas Disease.
Published in:
ChemMedChem, 2024, v. 19, n. 20, p. 1, doi. 10.1002/cmdc.202400293
By:
- Espinoza‐Chávez, Rocío Marisol;
- de Oliveira Rezende Júnior, Celso;
- Laureano de Souza, Mariana;
- Consolin Chelucci, Rafael;
- Michelan‐Duarte, Simone;
- Krogh, Renata;
- Gomes Ferreira, Leonardo Luiz;
- Valli, Marilia;
- Sena de Oliveira, Aldo;
- Andricopulo, Adriano D.;
- Carlos Dias, Luiz
Publication type:
Article
Dimeric interactions and complex formation using direct coevolutionary couplings.
Published in:
Scientific Reports, 2015, p. 13652, doi. 10.1038/srep13652
By:
- dos Santos, Ricardo N.;
- Morcos, Faruck;
- Jana, Biman;
- Andricopulo, Adriano D.;
- Onuchic, José N.
Publication type:
Article
Multiparameter Optimization of Trypanocidal Cruzain Inhibitors With In Vivo Activity and Favorable Pharmacokinetics.
Published in:
Frontiers in Pharmacology, 2022, v. 12, p. 1, doi. 10.3389/fphar.2021.774069
By:
- 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.
Publication type:
Article
Antioxidant Activity, Molecular Docking, Quantum Studies and In Vivo Antinociceptive Activity of Sulfonamides Derived From Carvacrol.
Published in:
Frontiers in Pharmacology, 2021, v. 12, p. 1, doi. 10.3389/fphar.2021.788850
By:
- de Oliveira, Aldo S.;
- Llanes, Luana C.;
- Nunes, Ricardo J.;
- Nucci-Martins, Catharina;
- de Souza, Anacleto S.;
- Palomino-Salcedo, David L.;
- Dávila-Rodríguez, María J.;
- Ferreira, Leonardo L. G.;
- Santos, Adair R. S.;
- Andricopulo, Adriano D.
Publication type:
Article
Neglected Tropical Diseases: A Chemoinformatics Approach for the Use of Biodiversity in Anti-Trypanosomatid Drug Discovery.
Published in:
Biomolecules (2218-273X), 2024, v. 14, n. 8, p. 1033, doi. 10.3390/biom14081033
By:
- Valli, Marilia;
- Döring, Thiago H.;
- Marx, Edgard;
- Ferreira, Leonardo L. G.;
- Medina-Franco, José L.;
- Andricopulo, Adriano D.
Publication type:
Article
Chemoinformatics Studies on a Series of Imidazoles as Cruzain Inhibitors.
Published in:
Biomolecules (2218-273X), 2021, v. 11, n. 4, p. 579, doi. 10.3390/biom11040579
By:
- Medeiros, Alex R.;
- Ferreira, Leonardo L. G.;
- de Souza, Mariana L.;
- de Oliveira Rezende Junior, Celso;
- Espinoza-Chávez, Rocío Marisol;
- Dias, Luiz Carlos;
- Andricopulo, Adriano D.
Publication type:
Article
Updating and profiling the natural product‐likeness of Latin American compound libraries.
Published in:
Molecular Informatics, 2024, v. 43, n. 7, p. 1, doi. 10.1002/minf.202400052
By:
- Gómez‐García, Alejandro;
- Prinz, Ann‐Kathrin;
- Jiménez, Daniel A. Acuña;
- Zamora, William J.;
- Barazorda‐Ccahuana, Haruna L.;
- Chávez‐Fumagalli, Miguel Á.;
- Valli, Marilia;
- Andricopulo, Adriano D.;
- da S. Bolzani, Vanderlan;
- Olmedo, Dionisio A.;
- Solís, Pablo N.;
- Núñez, Marvin J.;
- Rodríguez Pérez, Johny R.;
- Sánchez, Hoover A. Valencia;
- Cortés Hernández, Héctor F.;
- Mosquera Martinez, Oscar M.;
- Koch, Oliver;
- Medina‐Franco, José L.
Publication type:
Article
Antifungal compounds from Streptomyces associated with attine ants also inhibit Leishmania donovani.
Published in:
PLoS Neglected Tropical Diseases, 2019, v. 13, n. 8, p. 1, doi. 10.1371/journal.pntd.0007643
By:
- Ortega, Humberto E.;
- Ferreira, Leonardo L. G.;
- Melo, Weilan G. P.;
- Oliveira, Ana Ligia L.;
- Ramos Alvarenga, René F.;
- Lopes, Norberto P.;
- Bugni, Tim S.;
- Andricopulo, Adriano D.;
- Pupo, Mônica T.
Publication type:
Article
Antiplasmodial and trypanocidal activity of violacein and deoxyviolacein produced from synthetic operons.
Published in:
BMC Biotechnology, 2018, v. 18, n. 1, p. N.PAG, doi. 10.1186/s12896-018-0428-z
By:
- Bilsland, Elizabeth;
- Tavella, Tatyana A.;
- Krogh, Renata;
- Stokes, Jamie E.;
- Roberts, Annabelle;
- Ajioka, James;
- Spring, David R.;
- Andricopulo, Adriano D.;
- Costa, Fabio T. M.;
- Oliver, Stephen G.
Publication type:
Article
Synthesis of a novel brominated vinylic fatty acid with antileishmanial activity that effectively inhibits the Leishmania topoisomerase IB enzyme mediated by halogen bond formation.
Published in:
Pure & Applied Chemistry, 2019, v. 91, n. 8, p. 1405, doi. 10.1515/pac-2018-1113
By:
- Carballeira, Néstor M.;
- Alequín, Denisse;
- Lotti Diaz, Leilani M.;
- Matos, Victorio Jauregui;
- Ferreira, Leonardo L. G.;
- Andricopulo, Adriano D.;
- Golovko, Mikhail Y.;
- Reguera, Rosa M.;
- Pérez-Pertejo, Yolanda;
- Balaña-Fouce, Rafael
Publication type:
Article
Chemoinformatics Strategies for Leishmaniasis Drug Discovery.
Published in:
Frontiers in Pharmacology, 2018, p. 1, doi. 10.3389/fphar.2018.01278
By:
- Ferreira, Leonardo L. G.;
- Andricopulo, Adriano D.
Publication type:
Article
Discovery of a Series of Acridinones as Mechanism-Based Tubulin Assembly Inhibitors with Anticancer Activity.
Published in:
PLoS ONE, 2016, v. 11, n. 8, p. 1, doi. 10.1371/journal.pone.0160842
By:
- Magalhaes, Luma G.;
- Marques, Fernando B.;
- da Fonseca, Marina B.;
- Rogério, Kamilla R.;
- Graebin, Cedric S.;
- Andricopulo, Adriano D.
Publication type:
Article
Identification of a Prenyl Chalcone as a Competitive Lipoxygenase Inhibitor: Screening, Biochemical Evaluation and Molecular Modeling Studies.
Published in:
Molecules, 2021, v. 26, n. 8, p. 2205, doi. 10.3390/molecules26082205
By:
- 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.
Publication type:
Article
Structure-Based Virtual Screening, Molecular Dynamics and Binding Free Energy Calculations of Hit Candidates as ALK-5 Inhibitors.
Published in:
Molecules, 2020, v. 25, n. 2, p. 264, doi. 10.3390/molecules25020264
By:
- Araujo, Sheila C.;
- Maltarollo, Vinicius G.;
- Almeida, Michell O.;
- Ferreira, Leonardo L. G.;
- Andricopulo, Adriano D.;
- Honorio, Kathia M.;
- Costa, Giosuè
Publication type:
Article
Molecular Docking and Structure-Based Drug Design Strategies.
Published in:
Molecules, 2015, v. 20, n. 7, p. 13384, doi. 10.3390/molecules200713384
By:
- Ferreira, Leonardo G.;
- dos Santos, Ricardo N.;
- Oliva, Glaucius;
- Andricopulo, Adriano D.
Publication type:
Article
Identification of Electronic and Structural Descriptors of Adenosine Analogues Related to Inhibition of Leishmanial Glyceraldehyde-3-Phosphate Dehydrogenase.
Published in:
Molecules, 2013, v. 18, n. 5, p. 5032, doi. 10.3390/molecules18055032
By:
- Lozano, Norka B. H.;
- Oliveira, Rafael F.;
- Weber, Karen C.;
- Honorio, Kathia M.;
- Guido, Rafael V.;
- Andricopulo, Adriano D.;
- Da Silva, Albérico B. F.
Publication type:
Article
PK/DB: database for pharmacokinetic properties and predictive in silico ADME models.
Published in:
Bioinformatics, 2008, v. 24, n. 19, p. 2270, doi. 10.1093/bioinformatics/btn415
By:
- Tiago L. Moda;
- Leonardo G. Torres;
- Alexandre E. Carrara;
- Adriano D. Andricopulo
Publication type:
Article
H1-antihistamines as antischistosomal drugs: in vitro and in vivo studies.
Published in:
Parasites & Vectors, 2020, v. 13, n. 1, p. 1, doi. 10.1186/s13071-020-04140-z
By:
- Xavier, Rogério P.;
- Mengarda, Ana C.;
- Silva, Marcos P.;
- Roquini, Daniel B.;
- Salvadori, Maria C.;
- Teixeira, Fernanda S.;
- Pinto, Pedro L.;
- Morais, Thiago R.;
- Ferreira, Leonardo L. G.;
- Andricopulo, Adriano D.;
- de Moraes, Josué
Publication type:
Article
The (5 Z)-5-Pentacosenoic and 5-Pentacosynoic Acids Inhibit the HIV-1 Reverse Transcriptase.
Published in:
Lipids, 2015, v. 50, n. 10, p. 1043, doi. 10.1007/s11745-015-4064-2
By:
- Moreira, Lizabeth Giménez;
- Orellano, Elsie A.;
- Rosado, Karolyna;
- Guido, Rafael V. C.;
- Andricopulo, Adriano D.;
- Soto, Gabriela Ortiz;
- Rodríguez, José W.;
- Sanabria‐Ríos, David J.;
- Carballeira, Néstor M.
Publication type:
Article

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