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Coordenador Científico INCTBioNat

Laboratório: Laboratório de Química Medicinal e Computacional (LQMC)




Linha de Pesquisa

  • Química Medicinal e Planejamento de Fármacos
  • Doenças Tropicais Negligenciadas
  • Novos Agentes Anticâncer
  • Biodiversidade e Desenvolvimento de Bases de Dados

Principais Trabalhos Desenvolvidos

  1. Ferreira, L.G.; Andricopulo, A.D. Targeting Cysteine Proteases in Trypanosomatid Disease Drug Discovery. Pharmacology & Therapeutics, 180, 49-61,
  2. Pilon, A.C.; Valli, M.; Dameto, A.C.; Pinto, M.E.F.E.; Freire, R.T.; Andricopulo, A.D.; Bolzani, V.S. NuBBEDB: an Updated Database to Uncover Chemical and Biological Information from Brazilian Biodiversity. Scientific Reports, 7, 7215, 2017.
  3. Ferreira, L.G.; Andricopulo, A.D. Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design. Frontiers in Pharmacology, 8, in press, 2017.
  4. Mafud, A.C.; Ferreira, L.G.; Mascarenhas, Y.P.; Andricopulo, A.D.; Moraes, J. Discovery of Novel Antischistosomal Agents by Molecular Modeling Approaches. Trends in Parasitology, 11, 874-886,
  5. Ferreira, L.G.; Andricopulo, A.D. Drug Repositioning Approaches to Parasitic Diseases: A Medicinal Chemistry Perspective. Drug Discovery Today, 21, 1699-1710, 2016.
  6. Santos, M.S.; Fernandes, D.C.; Rodrigues, M.T.; Regiani, T.; Andricopulo, A.D.; Ruiz, A.L.T.G.; Vendramini-Costa, D.B.; Carvalho, J.E.; Eberlin, M.N.; Coelho, F. Diastereoselective Synthesis of Biologically Active Cyclopenta[b]indoles. Journal of Organic Chemistry, 81, 6626-6639,
  7. Magalhaes, L.G.; Marques, F.B.; Fonseca, M.B.; Rogerio, K.R.; Graebin, C.S.; Andricopulo, A.D. Discovery of a Series of Acridinones as Mechanism-Based Tubulin Assembly Inhibitors with Anticancer Activity. Plos One, 11, e0160842,
  8. Sueth-Santiago, V.; Moraes, J.B.B.; Alves, E.S.S.; Vannier-Santos, M. A.; Freire-de-Lima, C.G.; Rocha, J.D.B.; Castro, R.N.; Mendes-Silva, G.P.; Cistia, C.N.; Magalhaes, L.G.; Santanna, C.M.R.;Andricopulo, A.D.; Decote-Ricardo, D.; Lima, M.E.F. The Effectiveness of Natural Diarylheptanoids against Trypanosoma cruzi: Cytotoxicity, Ultrastructural Alterations and Molecular Modeling Studies. Plos One, 11, e0162926, 2016.
  9. Santos, R.N.; Morcos, F.; Jana, B.; Andricopulo, A.D.; Onuchic, J.N. Dimeric interactions and complex formation using direct coevolutionary couplings. Scientific Reports, 5, 13652, 2015.
  10. Ferreira, R.S.; Dessoy, M.A.; Pauli, I.; Souza, M.L.; Krogh, R.; Sales, A.I.L.; Oliva, G.; Dias, L.C.; Andricopulo, A.D. Synthesis, Biological Evaluation, and Structure-Activity Relationships of Potent Noncovalent and Nonpeptidic Cruzain Inhibitors as Anti-Trypanosoma cruzi Journal of Medicinal Chemistry, 57, 2380-2392, 2014.