{"id":52286,"date":"2024-03-15T08:58:55","date_gmt":"2024-03-15T11:58:55","guid":{"rendered":"https:\/\/lnbio.cnpem.br\/divisoes-cientificas\/nucleos-avancados-saude\/descoberta-de-farmacos\/"},"modified":"2024-08-26T10:03:28","modified_gmt":"2024-08-26T13:03:28","slug":"descoberta-de-farmacos","status":"publish","type":"page","link":"https:\/\/lnbio.cnpem.br\/en\/divisoes-cientificas\/nucleos-avancados-saude\/descoberta-de-farmacos\/","title":{"rendered":"Drug discovery"},"content":{"rendered":"

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Drug discovery<\/span><\/h1>\n

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  3. Drug discovery<\/span><\/li>\t\t\t\t\t<\/ol>\r\n\t\t\t\t\t
    <\/div>\r\n\t\t\t\t<\/div>\r\n\t\t\t<\/div>\r\n\t\t\t[\/vc_column_text][\/vc_column][vc_column width=”1\/2″][\/vc_column][\/vc_row][vc_row full_width=”stretch_row” gap=”5″ css=”.vc_custom_1710932812600{padding-top: 4rem !important;padding-bottom: 4rem !important;background-image: url(https:\/\/lnbio.cnpem.br\/wp-content\/uploads\/2024\/03\/grafismo-organico-lnbio-cinza.png?id=35463) !important;background-position: center !important;background-repeat: no-repeat !important;background-size: cover !important;}”][vc_column][vc_row_inner][vc_column_inner][vc_column_text css=””]The Drug discovery group works to leverage pharmaceutical innovation in Brazil, combining two of the country’s main competitive differentials: its rich biodiversity and cutting-edge research and science infrastructure. To do so, a platform was created that allows discovery initiatives to be carried out in a fluid and effective manner. At the same time, a modus operandi was developed to connect the resulting knowledge with technological development for industry, allowing solid management of these activities and legally secure administration of partnerships. An interdisciplinary team equipped with up-to-the-moment technology and advanced databases connects Brazilian biodiversity with pharmaceutical innovation.<\/p>\n

    Customized drug discovery methods benefit from more modern twenty-first century methods that include advanced computation and cutting-edge research to make new discoveries feasible. These methods involve miniaturized and automated experimental techniques to assess the chemistry of Brazilian biodiversity (such as LC-MS\/MS untargeted metabolomics), evaluating the pharmaceutical potential of these molecules (high-throughput screening bioassays, phenotyping and based on predefined targets), and capturing and understanding the way these molecules bind to the target proteins (crystallography of proteins in HT and crystallographic capture protocols).<\/p>\n

    LNBio is becoming well-established as the epicenter for studies involving Brazil’s biodiversity. The group manages a chemical library of the nation’s biodiversity and an integrated management system for compounds and data in line with good laboratory practices which permits traceability, the use of samples in various innovation projects, and benefit sharing with the community that provides the samples. The library contains roughly 10,000 chemical samples of this biodiversity, collected from roughly 1,000 plants, bacteria, and fungi over the past decade.<\/p>\n

    The lab maintains a pipeline with various research projects together with Institutions of Science and Technology (ICT), Brazilian pharmaceutical manufacturers, and companies specializing in bioprospecting for raw materials, developing customized innovative methods that will make it possible to develop pharmaceuticals from the country’s biodiversity, for Brazil and for the world.[\/vc_column_text][\/vc_column_inner][\/vc_row_inner][\/vc_column][\/vc_row][vc_row full_width=”stretch_row” gap=”5″ disable_element=”yes” css=”.vc_custom_1713969046825{padding-top: 4rem !important;padding-bottom: 4rem !important;background-image: url(https:\/\/lnbio.cnpem.br\/wp-content\/uploads\/2024\/03\/grafismo-organico-lnbio-cinza.png?id=35463) !important;background-position: center !important;background-repeat: no-repeat !important;background-size: cover !important;}”][vc_column][vc_row_inner][vc_column_inner][vc_column_text]<\/p>\n

    O grupo de Descoberta de F\u00e1rmacos executa projetos com Institutos de Ci\u00eancia e Tecnologia (ICTs) e\/ou com a ind\u00fastria farmac\u00eautica brasileiras e desenvolve m\u00e9todos inovadores customizados para viabilizar a desenvolvimento de mol\u00e9culas a partir de produtos naturais no Brasil, para o Brasil e para o mundo. Primeiramente, foi estabelecida uma plataforma que permite a execu\u00e7\u00e3o de projetos de descoberta de forma fluida e eficaz.<\/p>\n

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    Em paralelo foi estabelecido modus operandi<\/em> para conectar o conhecimento gerado com o desenvolvimento tecnol\u00f3gico pela ind\u00fastria, permitindo a gest\u00e3o dos projetos de forma s\u00f3lida e a gest\u00e3o de parcerias com seguran\u00e7a jur\u00eddica. Uma equipe interdisciplinar, equipamentos e base de dados de ponta conectam a biodiversidade brasileira \u00e0 inova\u00e7\u00e3o farmac\u00eautica.<\/p>\n

    No LNBio, o grupo gerencia uma biblioteca qu\u00edmica da biodiversidade brasileira e um sistema de gest\u00e3o de compostos e dados integrado, em conformidade com boas pr\u00e1ticas de laborat\u00f3rio, que permite a rastreabilidade e uso das amostras em diversos projetos de inova\u00e7\u00e3o.<\/p>\n

    Os m\u00e9todos customizados para drug discovery<\/em> (DD) se favorecem do melhor da tecnologia do s\u00e9culo XXI (incluindo computa\u00e7\u00e3o avan\u00e7ada e infraestrutura de pesquisa de ponta, como o Sirius<\/a>) para viabilizar novas descobertas. Estes m\u00e9todos envolvem t\u00e9cnicas experimentais miniaturizadas e automatizadas para acessar a qu\u00edmica da biodiversidade brasileira (como metabol\u00f4mica n\u00e3o direcionada por LC-MS\/MS, por exemplo), o potencial farmac\u00eautico destas mol\u00e9culas (bioensaios em moldes high throughput screening<\/em> \u2013 HTS, fenot\u00edpicos e baseados em alvos pr\u00e9-definidos), a captura e o modo de liga\u00e7\u00e3o destas mol\u00e9culas na prote\u00edna alvo (cristalografia de prote\u00ednas em moldes HT e captura cristalogr\u00e1fica).<\/p>\n

    As atividades do grupo de Descoberta de F\u00e1rmacos visam alavancar a inova\u00e7\u00e3o farmac\u00eautica no Brasil, unindo os 2 principais diferenciais competitivos do Pa\u00eds: sua rica biodiversidade e infraestrutura de pesquisa e ci\u00eancia de ponta, formando tamb\u00e9m um ambiente ideal para transla\u00e7\u00e3o do conhecimento da ICT para a ind\u00fastria.<\/p>\n

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    Plataforma de Drug Discovery<\/h3>\n\t\t\t<\/div>\n\t\t\t
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    Plataforma de descoberta de f\u00e1rmacos baseada na biodiversidade brasileira e alta tecnologia. A plataforma opera em 4 m\u00f3dulos, conforme segue:<\/p>\n

    I. sele\u00e7\u00e3o de mol\u00e9culas de partida candidatas (hit) a partir de bibliotecas qu\u00edmicas inovadoras, ensaios automatizados em escala miniaturizada e avalia\u00e7\u00e3o do s\u00edtio de intera\u00e7\u00e3o por cristalografia de prote\u00ednas na linha Manac\u00e1 do Sirius;<\/p>\n

    II. valida\u00e7\u00e3o das mol\u00e9culas de partida atrav\u00e9s do isolamento de produtos naturais, obten\u00e7\u00e3o de an\u00e1logos e avalia\u00e7\u00e3o em modelos celulares da doen\u00e7a;<\/p>\n

    III. melhoramento das mol\u00e9culas de partida (hit2lead) atrav\u00e9s da expans\u00e3o e avalia\u00e7\u00e3o de s\u00e9ries qu\u00edmicas, realizando an\u00e1lises da rela\u00e7\u00e3o da estrutura com a atividade biol\u00f3gica (SAR); do acesso \u00e0s propriedades de f\u00e1rmaco (ADME-Tox); do planejamento racional e s\u00edntese qu\u00edmica, at\u00e9 se atingir mol\u00e9culas com efic\u00e1cia e seguran\u00e7a em modelos in vitro (lead);<\/p>\n

    IV. avalia\u00e7\u00e3o da mol\u00e9cula l\u00edder em modelos animais (in vivo). Estudos de farmacocin\u00e9tica (PK) e dose m\u00e1xima tolerada (MTD) para definir a dose que garanta exposi\u00e7\u00e3o para a prova de efic\u00e1cia (PoE) em modelos animais. Quando necess\u00e1rio, \u00e9 realizada etapa de otimiza\u00e7\u00e3o dos leads (leadopt) por modifica\u00e7\u00e3o qu\u00edmica e reteste nos modelos in vitro e in vivo. A mol\u00e9cula que demonstra efic\u00e1cia no teste de PoE \u00e9 denominada \u201cf\u00e1rmaco candidato\u201d. Esta \u00e9 a mol\u00e9cula que segue para estudos regulat\u00f3rios e n\u00e3o sofre mais modifica\u00e7\u00f5es qu\u00edmicas ao longo do processo. O \u201ccandidato\u201d corresponde \u00e0 inova\u00e7\u00e3o (base para prote\u00e7\u00e3o intelectual e direitos econ\u00f4micos) e ao IFA (insumo farmac\u00eautico ativo) do futuro medicamento.<\/p>\n

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    Pipeline de projetos e principais parceiros da plataforma de descoberta de f\u00e1rmacos LNBio\/CNPEM<\/p>\n

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    Natural allosteric modulators and their biological targets: molecular signatures and mechanisms<\/h3>\t\t\t
    Marjorie Bruder, Gina Polo, Daniela B. B. Trivella<\/div>\t\t<\/div>\n\t\t<\/span>\n\t<\/a>\n\n\t\t<\/div>\n\n\t[\/vc_column_inner][vc_column_inner width=”1\/3″]\n\t
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    NP3 MS Workflow: An Open-Source Software System to Empower Natural Product-Based Drug Discovery Using Untargeted Metabolomics<\/h3>\t\t\t
    Cristina F. Bazzano, Rafael de Felicio, Luiz Fernando Giolo Alves, Jonas Henrique Costa, Raquel Ortega, Bruna Domingues Vieira, Raquel Peres Morais-Urano, Luciana Costa Furtado, Everton L. F. Ferreira, Juliana R. Gubiani, Roberto G. S. Berlinck, Leticia V. Costa-Lotufo, Guilherme P. Telles, and Daniela B. B. Trivella<\/strong><\/div>\t\t<\/div>\n\t\t<\/span>\n\t<\/a>\n\n\t\t<\/div>\n\n\t[\/vc_column_inner][vc_column_inner width=”1\/3″]\n\t
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    Descoberta de f\u00e1rmacos a partir de produtos naturais e a abordagem Molecular Power House (MPH)<\/h3>\t\t\t
    Trivella, Daniela Barretto Barbosa; Bruder, Marjorie Christine Paule; Oliveira, F\u00e1bio Cesar Bonaf\u00e9; Porcaro, Renata; Rustiguel, Joane Kathelen; Ribeiro, Leonardo Bergamasco; Fel\u00edcio, Rafael; Cunha, Marcos Guilherme da; Nascimento, Andrey Fabr\u00edcio Ziem; Zeri, Ana Carolina Mattos; Pessa, Lisandra Ravanelli; Mascarello, Alessandra; Guimar\u00e3es, Cristiano Ruch Werneck; Azevedo, Hatylas; Perfeito, Marcia Luana Gomes; Pagani, Eduardo; Ropke, Cristina Dislich<\/div>\t\t<\/div>\n\t\t<\/span>\n\t<\/a>\n\n\t\t<\/div>\n\n\t[\/vc_column_inner][\/vc_row_inner][\/vc_column][\/vc_row][vc_row full_width=”stretch_row” css=”.vc_custom_1696434766725{background-color: #ffffff !important;background-position: center !important;background-repeat: no-repeat !important;background-size: cover !important;}”][vc_column][vc_empty_space height=”32″][\/vc_column][\/vc_row][vc_row full_width=”stretch_row” css=”.vc_custom_1696515988446{background-color: #eff2f5 !important;background-position: center !important;background-repeat: no-repeat !important;background-size: cover !important;}”][vc_column][\/vc_column][\/vc_row][vc_row full_width=”stretch_row” content_placement=”middle” css=”.vc_custom_1696516377387{background-color: #eff2f5 !important;background-position: center !important;background-repeat: no-repeat !important;background-size: cover !important;}”][vc_column width=”1\/4″][vc_custom_heading text=”meet
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    Daniela Trivella<\/h2>
    Lead researcher<\/div>

    drug discovery group<\/strong>
    \nSee Lattes CV<\/a><\/p><\/div>

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