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New antituberculosis agents candidates: design and synthesis of phosphopantetheine adenylyltransferase inhibitors

Grant number: 13/15947-3
Support Opportunities:Scholarships in Brazil - Doctorate
Effective date (Start): November 01, 2013
Effective date (End): May 31, 2018
Field of knowledge:Health Sciences - Pharmacy
Principal Investigator:Elizabeth Igne Ferreira
Grantee:Marina Candido Primi
Host Institution: Faculdade de Ciências Farmacêuticas (FCF). Universidade de São Paulo (USP). São Paulo , SP, Brazil
Associated scholarship(s):15/21470-0 - In vitro tests of phosphopantetheine adenililtrasferase inhibitors potentially active against Mycobacterium tuberculosis and design of novel compounds, BE.EP.DR


Tuberculosis is a major cause of death from infection worldwide, in 2011 were recorded 8.7 million cases. The available treatment for this condition has high rates of abandonment, and high levels of resistance of Mycobacterium tuberculosis, its agent, to the drugs used in the therapy. In this sense, is very important to develop more selective drugs, capable of reduce the duration of treatment, and effective against resistant strains and dormant TB. Thus, explore new targets that are essential to mycobacteria growth and survival is of great interest. This project proposes the development of phosphopantetheine adenylyltransferase (PPAT) inhibitors. PPAT has recently attracted the interest of the scientific community because of its regulatory role in Coenzyme A (CoA)biosynthesis in mycobacteria. Fifty PPAT potential inhibitors have been proposed based on the structure of its natural inhibitor, CoA. In order to predict potential complementarities between the 50 inhibitors and the active site of PPAT, docking strategy will be employed. Docking will be performed with the 50 designed analogues and PPAT crystallographic structure. From the results obtained, most promising inhibitors will be synthesized and will have their biological activity evaluated.

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Scientific publications
(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)
TAVARES, MAURICIO T.; PRIMI, MARINA C.; SILVA, NUNO A. T. F.; CARVALHO, CAMILA F.; CUNHA, MICAEL R.; PARISE-FILHO, ROBERTO. Using an in Silico Approach To Teach 3D Pharmacodynamics of the Drug-Target Interaction Process Focusing on Selective COX2 Inhibition by Celecoxib. Journal of Chemical Education, v. 94, n. 3, p. 380-387, . (13/15947-3)
PRIMI, MARINA C.; TAVARES, MAURICIO T.; KLEIN, LARRY L.; IZARD, TINA; SANT'ANNA, CARLOS M. R.; FRANZBLAU, SCOTT G.; FERREIRA, I, ELIZABETH. Design of Novel Phosphopantetheine Adenylyltransferase Inhibitors: A Potential New Approach to Tackle Mycobacterium tuberculosis. CURRENT TOPICS IN MEDICINAL CHEMISTRY, v. 21, n. 13, p. 1186-1197, . (13/15947-3, 15/21470-0)
PRIMI, MARINA CANDIDO; MALTAROLLO, VINICIUS GONCALVES; MAGALHAES, JULIANA GALLOTTINI; DE SA, MATHEUS MALTA; RANGEL-YAGUI, CARLOTA OLIVEIRA; GOULART TROSSINI, GUSTAVO HENRIQUE. Convergent QSAR studies on a series of NK3 receptor antagonists for schizophrenia treatment. Journal of Enzyme Inhibition and Medicinal Chemistry, v. 31, n. 2, p. 283-294, . (13/15947-3)
Academic Publications
(References retrieved automatically from State of São Paulo Research Institutions)
PRIMI, Marina Candido. New antituberculosis agents\' candidates: design and synthesis of phosphopantetheine adenylyltransferase inhibitors. 2018. Doctoral Thesis - Universidade de São Paulo (USP). Conjunto das Químicas (IQ e FCF) (CQ/DBDCQ) São Paulo.

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