Optimizing trypanosomatid agents by integration of in silico, calorimetry and cell-based assays

• Grant number: 11/01893-3
• Support Opportunities: Regular Research Grants
• Start date: June 01, 2011
• End date: November 30, 2013
• Field of knowledge: Physical Sciences and Mathematics - Chemistry
• Principal Investigator: Carlos Alberto Montanari
• Grantee: Carlos Alberto Montanari
• Host Institution: Instituto de Química de São Carlos (IQSC). Universidade de São Paulo (USP). São Carlos , SP, Brazil
• Associated researchers: Aderson Zottis ; Andrei Leitão ; Eliana Aparecida Varanda ; João Santana da Silva ; Josmar Rodrigues da Rocha

Scientific publications

(7)

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

SANTORO, ADRIANA LEANDRA; CARRILHO, EMANUEL; LANCAS, FERNANDO MAURO; MONTANARI, CARLOS ALBERTO. Quantitative structure-retention relationships of flavonoids unraveled by immobilized artificial membrane chromatography. European Journal of Pharmaceutical Sciences, v. 88, p. 147-157, JUN 10 2016. (11/01893-3)

KENNY, PETER W.; MONTANARI, CARLOS A.; PROKOPCZYK, IGOR M.; SALA, FERNANDA A.; SARTORI, GERALDO RODRIGUES. Automated molecule editing in molecular design. Journal of Computer-Aided Molecular Design, v. 27, n. 8, p. 655-664, AUG 2013. (11/20572-3, 11/01893-3)

WIGGERS, HELTON J.; ROCHA, JOSMAR R.; FERNANDES, WILLIAM B.; SESTI-COSTA, RENATA; CARNEIRO, ZUMIRA A.; CHELESKI, JULIANA; DA SILVA, ALBERICO B. F.; JULIANO, LUIZ; CEZARI, MARIA H. S.; SILVA, JOAO S.; et al. Non-peptidic Cruzain Inhibitors with Trypanocidal Activity Discovered by Virtual Screening and In Vitro Assay. PLoS Neglected Tropical Diseases, v. 7, n. 8, AUG 2013. (11/01893-3)

SOARES, FABYANA A.; SESTI-COSTA, RENATA; DA SILVA, JOAO SANTANA; DE SOUZA, MARIA CECILIA B. V.; FERREIRA, VITOR F.; SANTOS, FERNANDA DA C.; MONTEIRO, PATRICIA A. U.; LEITAO, ANDREI; MONTANARI, CARLOS A.. Molecular design, synthesis and biological evaluation of 1,4-dihydro-4-oxoquinoline ribonucleosides as TcGAPDH inhibitors with trypanocidal activity. Bioorganic & Medicinal Chemistry Letters, v. 23, n. 16, p. 4597-4601, AUG 15 2013. (11/07025-3, 11/01893-3)

SANGI, DIEGO P.; COMINETTI, MARCIA R.; BECCENERI, AMANDA B.; RESENDE, FLAVIA A.; VARANDA, ELIANA A.; MONTANARI, CARLOS A.; PAIXAO, MARCIO W.; CORREA, ARLENE G.. Molecular Design, Synthesis and Evaluation of 2,3-Diarylquinoxalines as Estrogen Receptor Ligands. Medicinal Chemistry, v. 11, n. 8, p. 736-746, 2015. (13/07600-3, 11/01893-3, 13/50680-8)

KENNY, PETER W.; LEITAO, ANDREI; MONTANARI, CARLOS A.. Ligand efficiency metrics considered harmful. Journal of Computer-Aided Molecular Design, v. 28, n. 7, p. 699-710, JUL 2014. (11/20572-3, 11/01893-3)

PROKOPCZYK, IGOR M.; RIBEIRO, JEAN F. R.; SARTORI, GERALDO R.; SESTI-COSTA, RENATA; SILVA, JOAO S.; FREITAS, RENATO F.; LEITAO, ANDREI; MONTANARI, CARLOS A.. Integration of methods in cheminformatics and biocalorimetry for the design of trypanosomatid enzyme inhibitors. Future Medicinal Chemistry, v. 6, n. 1, p. 17-33, JAN 2014. (11/01893-3)