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The crystallography as tool in the help to elucidate the mechanism of action of potential metallodrugs

Grant number: 14/13691-4
Support type:Regular Research Grants
Duration: September 01, 2014 - August 31, 2016
Field of knowledge:Physical Sciences and Mathematics - Physics - General Physics
Principal Investigator:Eduardo Ernesto Castellano
Grantee:Eduardo Ernesto Castellano
Home Institution: Instituto de Física de São Carlos (IFSC). Universidade de São Paulo (USP). São Carlos , SP, Brazil
Assoc. researchers:Alzir Azevedo Batista


The present project aims the application of techniques for determination of structures by X-ray diffraction of monocrystals to study the bonds in complexes with general formulae [PtCl(PPh3)2(N`-(acyl)-N',N'-(di-substituted)thioureas-k2O,S)], cis-[Pd(PPh3)2(N`-(acyl)-N',N'- (di-substituted)thioureas-k2O,S)]PF6, trans-[Ru(PPh3)2(N`-(acyl)-N',N'-(di-substituted) thioureas-k2O,S)(bipy)]PF6. After the synthesis of the complexes with high purity (by Prof. Alzir Azevedo Batista´s group, Inorganic Chemistry Laboratory, UFSCAR), the cytotoxicity of the complexes against breast and prostate cancer cells, by colorimetric MTT method, the results will be compared with those of fibroblast cells, to make the screening for further study with respect the death mecanism of action and the interactions of the complexes with DNA. Knowing the molecular geometry of the complexes, and with the help of other techniques, such as NMR, UV-Vis, IR, there is a expectation to be possible to relate structure and activity of the complexes under study. (AU)

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)
PLUTIN, ANA M.; ALVAREZ, ANISLAY; MOCELO, RAUL; RAMOS, RAUL; CASTELLANO, EDUARDO E.; DA SILVA, MONIZE M.; VILLARREAL, WILMER; PAVAN, FERNANDO R.; MEIRA, CASSIO SANTANA; RODRIGUES FILHO, JOSE SIMAO; MOREIRA, DIOGO RODRIGO M.; SOARES, MILENA BOTELHO P.; BATISTA, ALZIR A. Palladium(II)/N,N-disubstituted-N `-acylthioureas complexes as anti-Mycobacterium tuberculosis and anti-Trypanosoma cruzi agents. Polyhedron, v. 132, p. 70-77, AUG 16 2017. Web of Science Citations: 6.
PLUTIN, ANA M.; ALVAREZ, ANISLAY; MOCELO, RAUL; RAMOS, RAUL; CASTELLANO, EDUARDO E.; DA SILVA, MONIZE M.; COLINA-VEGAS, LEGNA; PAVAN, FERNANDO R.; BATISTA, ALZIR A. Anti-Mycobacterium tuberculosis activity of platinum(II)/N,N-disubstituted-N `-acyl thiourea complexes. Inorganic Chemistry Communications, v. 63, p. 74-80, JAN 2016. Web of Science Citations: 14.

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