Intermolecular interaction of thiosemicarbazone derivatives to solvents and a potential Aedes aegypti target

Submitted by Ana Maria Fiscina Sampaio ([email protected]) on 2017-08-07T16:25:10Z No. of bitstreams: 1 Silva JBP Intermolecular interaction....pdf: 1707386 bytes, checksum: e49c7270f17ddcc8977de457d98bbb43 (MD5)Approved for entry into archive by Ana Maria Fiscina Sampaio ([email protected]) on 2017-08-07T17:03:46Z (GMT) No. of bitstreams: 1 Silva JBP Intermolecular interaction....pdf: 1707386 bytes, checksum: e49c7270f17ddcc8977de457d98bbb43 (MD5)Made available in DSpace on 2017-08-07T17:03:46Z (GMT). No. of bitstreams: 1 Silva JBP Intermolecular interaction....pdf: 1707386 bytes, checksum: e49c7270f17ddcc8977de457d98bbb43 (MD5) Previous issue date: 2015FACEPE/CNPq/PRONEX, FACEPE/PPSUS-2008 and Dengue Institute/CNPqUniversidade Federal de Pernambuco. Centro de Ciências Exatas e da Natureza. Departamento de Química Fundamental. Recife, PE, BrasilUniversidade Federal de Pernambuco. Centro de Ciências Exatas e da Natureza. Departamento de Química Fundamental. Recife, PE, BrasilUniversidade Federal de Pernambuco. Centro de Ciências Exatas e da Natureza. Departamento de Química Fundamental. Recife, PE, BrasilUniversidade Federal de Pernambuco. Centro de Ciências Exatas e da Natureza. Departamento de Química Fundamental. Recife, PE, Brasil / Fundação Oswaldo Cruz. Centro de Pesquisas Gonçalo Moniz. Salvador, BA, BrasilUniversidade Federal de Pernambuco. Centro de Ciências Exatas e da Natureza. Departamento de Química Fundamental. Recife, PE, BrasilUniversidade Federal de Pernambuco. Centro de Ciências da Saúde. Departamento de Ciências Farmacêuticas. Recife, PE, BrasilUniversidade Federal de Pernambuco. Centro de Ciências da Saúde. Departamento de Ciências Farmacêuticas. Recife, PE, BrasilUniversidade Federal de Pernambuco. Centro de Ciências da Saúde. Departamento de Ciências Farmacêuticas. Recife, PE, BrasilUniversidade Federal de Pernambuco. Centro de Ciências da Saúde. Departamento de Ciências Farmacêuticas. Recife, PE, BrasilUniversity of Florida. Quantum Theory Project. Gainesville, FL, USADFT calculations were used to access information about structure, energy and electronic properties of series of phenyl- and phenoxymethyl-(thio)semicarbazone derivatives with demonstrated activity against the larvae of Aedes aegypti in stage L4. The way as the thiosemicarbazone derivatives can interact with solvents like DMSO and water were analyzed from the comparison between calculated and experimental 1H NMR chemical shifts. The evidences of thiosemicarbazone derivatives making H-bond interaction to solvent have provide us insights on how they can interact with a potential A. aegypti’s biological target, the Sterol Carrier Protein-2

Antitumor and immunomodulatory activities of thiosemicarbazones and 1,3-Thiazoles in Jurkat and HT-29 cells

Submitted by Ana Maria Fiscina Sampaio ([email protected]) on 2016-12-29T13:13:53Z No. of bitstreams: 1 Santos TAR Antitumor and immunomodulatory....pdf: 770132 bytes, checksum: b6d055670f9e6f1821da4d2895ab7c0d (MD5)Approved for entry into archive by Ana Maria Fiscina Sampaio ([email protected]) on 2016-12-29T13:24:03Z (GMT) No. of bitstreams: 1 Santos TAR Antitumor and immunomodulatory....pdf: 770132 bytes, checksum: b6d055670f9e6f1821da4d2895ab7c0d (MD5)Made available in DSpace on 2016-12-29T13:24:03Z (GMT). No. of bitstreams: 1 Santos TAR Antitumor and immunomodulatory....pdf: 770132 bytes, checksum: b6d055670f9e6f1821da4d2895ab7c0d (MD5) Previous issue date: 2016Brazilian National Research Council (CNPq), Research Foundation of Pernambuco State (FACEPE) and FIOCRUZ.Fundação Oswaldo Cruz. Centro de Pesquisa Aggeu Magalhães. Laboratório de Imunogenética. Recife, PE, BrasilFundação Oswaldo Cruz. Centro de Pesquisa Aggeu Magalhães. Laboratório de Imunogenética. Recife, PE, BrasilUniversidade Federal de Pernambuco. Departamento de Ciências Farmacêuticas. Recife, PE, BrasilUniversidade Federal de Pernambuco. Departamento de Ciências Farmacêuticas. Recife, PE, BrasilUniversidade Federal de Pernambuco. Departamento de Ciências Farmacêuticas. Recife, PE, BrasilUniversidade Federal de Pernambuco. Departamento de Ciências Farmacêuticas. Recife, PE, BrasilFundação Oswaldo Cruz. Centro de Pesquisas Gonçalo Moniz. Salvador, BA, BrasilUniversidade Federal de Pernambuco. Departamento de Ciências Farmacêuticas. Recife, PE, BrasilFundação Oswaldo Cruz. Centro de Pesquisa Aggeu Magalhães. Laboratório de Imunogenética. Recife, PE, BrasilCancer remains a high incidence and mortality disease, causing around 8.2 million of deaths in the last year. Current chemotherapy needs to be expanded, making research for new drugs a necessary task. Immune system modulation is an emerging concept in cancer cell proliferation control. In fact, there are a number of mechanisms underlying the role immune system plays in tumor cells. In this work, we describe the structural design, synthesis, antitumor and immunomodulatory potential of 31 new 1,3-thiazole and thiosemicarbazone compounds. Cisplatin was used as anticancer drug control. Cytotoxicity against J774A.1 macrophages and antitumor activity against HT-29 and Jurkat cells was determined. These 1,3-thiazole and thiosemicarbazone compounds not only exhibited cytotoxicity in cancer cells, but were able to cause irreversible cancer cell damage by inducing necrosis and apoptosis. In addition, these compounds, especially pyridyl-thiazoles compounds, regulated immune factors such as interleukin 10 and tumor necrosis factor, possible by directing immune system in favor of modulating cancer cell proliferation. By examining their pharmacological activity, we were able to identify new potent and selective anticancer compounds

Design, synthesis and structure-activity relationship of phthalimides endowed with dual antiproliferative and immunomodulatory activities

Soares, Milena Botelho Pereira. Fundação Oswaldo Cruz. Centro de Pesquisas Gonçalo Moniz. Salvador, BA, Brasil “Documento produzido em parceria ou por autor vinculado à Fiocruz, mas não consta à informação no documento”. Marcos Veríssimo de Oliveira Cardoso a, *, Diogo Rodrigo Magalhães Moreira a, Gevanio Bezerra Oliveira Filho a, Suellen Melo Tiburcio Cavalcanti a, Lucas Cunha Duarte Coelho a, Jos e Wanderlan Pontes Espíndola a, Laura Rubio Gonzalez a, Marcelo Montenegro Rabello a, Marcelo Zaldini Hernandes a, Paulo Michel Pinheiro Ferreira b, Cl audia Pessoa c, d, Carlos Alberto de Simone e, Elisalva Teixeira Guimarães f, Milena Botelho Pereira Soares g, Ana Cristina Lima Leite a a Departamento de Ciências Farmacêuticas, Centro de Ciências da Saúde, Universidade Federal de Pernambuco, 50740-520, Recife, PE, Brazil b Departamento de Biofísica e Fisiologia, Programa de P os-Graduação em Ciências Farmacêuticas, Universidade Federal do Piauí, 64049-550, Teresina, PI, Brazil c Departamento de Fisiologia e Farmacologia, Faculdade de Medicina, Universidade Federal do Cear a, 60430-270, Fortaleza, CE, Brazil d Fundação Oswaldo Cruz, 60180-900, Fortaleza, CE, Brasil e Departamento de Física e Inform atica, Instituto de Física, Universidade de São Paulo, 13560-970, São Carlos, SP, Brazil f Departamento de Ciências da Vida, Universidade do Estado da Bahia, 41150-000, Salvador, BA, Brazil g Hospital São Rafael, 41253-190, Salvador, BA, BrazilSubmitted by Ana Maria Fiscina Sampaio ([email protected]) on 2017-07-12T12:56:15Z No. of bitstreams: 1 Cardoso MVO Design, synthesis and structure activity.....pdf: 2327143 bytes, checksum: aed552566b61acc35f1c4ee5282c199d (MD5)Approved for entry into archive by Ana Maria Fiscina Sampaio ([email protected]) on 2017-07-12T13:12:17Z (GMT) No. of bitstreams: 1 Cardoso MVO Design, synthesis and structure activity.....pdf: 2327143 bytes, checksum: aed552566b61acc35f1c4ee5282c199d (MD5)Made available in DSpace on 2017-07-12T13:12:17Z (GMT). No. of bitstreams: 1 Cardoso MVO Design, synthesis and structure activity.....pdf: 2327143 bytes, checksum: aed552566b61acc35f1c4ee5282c199d (MD5) Previous issue date: 2015Múltipla - ver em NotasThe present work reports the synthesis and evaluation of the antitumour and immunomodulatory properties of new phthalimides derivatives designed to explore molecular hybridization and bioisosterism approaches between thalidomide, thiosemicarbazone, thiazolidinone and thiazole series. Twenty-seven new molecules were assessed for their immunosuppressive effect toward TNFα, IFNγ, IL-2 and IL-6 production and antiproliferative activity. The best activity profile was observed for the (6a-f) series, which presents phthalyl and thiazolidinone groups

Synthesis and structure-activity relationship study of a new series of antiparasitic aryloxyl thiosemicarbazones inhibiting Trypanosoma cruzi cruzain.

Submitted by Ana Maria Fiscina Sampaio ([email protected]) on 2016-04-15T18:08:30Z No. of bitstreams: 1 Espindola JWO Synthesis and structure....pdf: 2317914 bytes, checksum: bbb03141505669c2333311cba6a51a68 (MD5)Approved for entry into archive by Ana Maria Fiscina Sampaio ([email protected]) on 2016-04-15T18:24:38Z (GMT) No. of bitstreams: 1 Espindola JWO Synthesis and structure....pdf: 2317914 bytes, checksum: bbb03141505669c2333311cba6a51a68 (MD5)Made available in DSpace on 2016-04-15T18:24:38Z (GMT). No. of bitstreams: 1 Espindola JWO Synthesis and structure....pdf: 2317914 bytes, checksum: bbb03141505669c2333311cba6a51a68 (MD5) Previous issue date: 2015Universidade Federal de Pernambuco. Centro de Ciências da Saúde. Departamento de Ciências Farmacêuticas. Recife, PE, BrasilUniversidade Federal de Pernambuco. Centro de Ciências da Saúde. Departamento de Ciências Farmacêuticas. Recife, PE, BrasilUniversidade Federal de Pernambuco. Centro de Ciências da Saúde. Departamento de Ciências Farmacêuticas. Recife, PE, BrasilUniversidade Federal de Pernambuco. Centro de Ciências da Saúde. Departamento de Ciências Farmacêuticas. Recife, PE, BrasilFundação Oswaldo Cruz. Centro de Pesquisas Gonçalo Moniz. Salvador, BA, BrasilFundação Oswaldo Cruz. Centro de Pesquisas Gonçalo Moniz. Salvador, BA, BrasilUniversidade de São Paulo. Instituto de Física. Departamento de Física e Inform atica. São Carlos, SP, BrasilFundação Oswaldo Cruz. Centro de Pesquisas Gonçalo Moniz. Salvador, BA, Brasil / Hospital São Rafael. Centro de Biotecnologia e Terapia Celular. Salvador, BA, BrasilUniversidade Federal de Minas Gerais. Departamento de Bioquímica e Imunologia. Belo Horizonte, MG, BrasilUniversidade Federal de Minas Gerais. Departamento de Bioquímica e Imunologia. Belo Horizonte, MG, BrasilFundação Oswaldo Cruz. Centro de Pesquisas Aggeu Magalhães. Recife, PE, BrasiFundação Oswaldo Cruz. Centro de Pesquisas Aggeu Magalhães. Recife, PE, BrasiFundação Oswaldo Cruz. Centro de Pesquisas Ren e Rachou. Laborat ório de Parasitologia Celular e Molecular. Belo Horizonte, MG, BrasilFundação Oswaldo Cruz. Centro de Pesquisas Ren e Rachou. Laborat ório de Parasitologia Celular e Molecular. Belo Horizonte, MG, BrasilFundação Oswaldo Cruz. Centro de Pesquisas Ren e Rachou. Laborat ório de Parasitologia Celular e Molecular. Belo Horizonte, MG, BrasilUniversidade Federal de Pernambuco. Centro de Ciências da Saúde. Departamento de Ciências Farmacêuticas. Recife, PE, BrasilThe discovery of new antiparasitic compounds against Trypanosoma cruzi, the etiological agent of Chagas disease, is necessary. Novel aryloxy/aryl thiosemicarbazone-based conformationally constrained analogs of thiosemicarbazones (1) and (2) were developed as potential inhibitors of the T. cruzi protease cruzain, using a rigidification strategy of the iminic bond of (1) and (2). A structureeactivity relationship analysis was performed in substituents attached in both aryl and aryloxy rings. This study indicated that apolar substituents or halogen atom substitution at the aryl position improved cruzain inhibition and antiparasitic activity in comparison to unsubstituted thiosemicarbazone. Two of these compounds displayed potent inhibitory antiparasitic activity by inhibiting cruzain and consequently were able to reduce the parasite burden in infected cells and cause parasite cell death through necrosis. In conclusion, we demonstrated that conformational restriction is a valuable strategy in the development of antiparasitic thiosemicarbazones