Exportar registro bibliográfico


Metrics:

Molecular modeling and structure-activity relationships studies of bioisoster hybrids of N-acylhydrazone and furoxan groups on cruzain (2017)

  • Authors:
  • USP affiliated authors: ANDRICOPULO, RENATA KROGH - IFSC ; ANDRICOPULO, ADRIANO DEFINI - IFSC ; FERREIRA, ELIZABETH IGNE - FCF ; LOUREIRO, ANA PAULA DE MELO - FCF
  • Unidades: IFSC; FCF
  • DOI: 10.1007/s00044-016-1776-7
  • Subjects: QUÍMICA MÉDICA; PRODUTOS NATURAIS; PLANTAS MEDICINAIS
  • Keywords: Antiparasite drugs; Docking studies; Molecular hybridization; Bioisosterism
  • Language: Inglês
  • Imprenta:
  • Source:
  • Acesso à fonteDOI
    Informações sobre o DOI: 10.1007/s00044-016-1776-7 (Fonte: oaDOI API)
    • Este periódico é de assinatura
    • Este artigo NÃO é de acesso aberto
    • Cor do Acesso Aberto: closed

    How to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas

    • ABNT

      SERAFIM, Ricardo A. M.; OLIVEIRA, Tiago F.; LOUREIRO, Ana Paula de Melo; et al. Molecular modeling and structure-activity relationships studies of bioisoster hybrids of N-acylhydrazone and furoxan groups on cruzain. Medicinal Chemistry Research, Basel, Springer, v. 26, n. 4, p. 760-769, 2017. Disponível em: < http://dx.doi.org/10.1007/s00044-016-1776-7 > DOI: 10.1007/s00044-016-1776-7.
    • APA

      Serafim, R. A. M., Oliveira, T. F., Loureiro, A. P. de M., Krogh, R., Andricopulo, A. D., Dias, L. C., & Ferreira, E. I. (2017). Molecular modeling and structure-activity relationships studies of bioisoster hybrids of N-acylhydrazone and furoxan groups on cruzain. Medicinal Chemistry Research, 26( 4), 760-769. doi:10.1007/s00044-016-1776-7
    • NLM

      Serafim RAM, Oliveira TF, Loureiro AP de M, Krogh R, Andricopulo AD, Dias LC, Ferreira EI. Molecular modeling and structure-activity relationships studies of bioisoster hybrids of N-acylhydrazone and furoxan groups on cruzain [Internet]. Medicinal Chemistry Research. 2017 ; 26( 4): 760-769.Available from: http://dx.doi.org/10.1007/s00044-016-1776-7
    • Vancouver

      Serafim RAM, Oliveira TF, Loureiro AP de M, Krogh R, Andricopulo AD, Dias LC, Ferreira EI. Molecular modeling and structure-activity relationships studies of bioisoster hybrids of N-acylhydrazone and furoxan groups on cruzain [Internet]. Medicinal Chemistry Research. 2017 ; 26( 4): 760-769.Available from: http://dx.doi.org/10.1007/s00044-016-1776-7

    Referências citadas na obra
    Allen FH (2002) The Cambridge structural database: a quarter of a million crystal structures and rising. Acta Crystallogr B 58:380–388
    Anis RJ, Anis R, Marin-Neto JA (2010) Chagas disease. Lancet 375:1388–1402
    Borchardt DM, Mascarello A, Chiaradia LD, Nunes RJ, Oliva G, Yunes RA, Andricopulo AD (2010) Biochemical evaluation of a series of synthetic chalcone and hydrazide derivatives as novel inhibitors of cruzain from Trypanosoma cruzi. J Braz Chem Soc 21:142–150
    Coura JR, Dias JCP (2009) Epidemiology, control and surveillance of Chagas disease – 100 years after its discovery. Mem Inst Oswaldo Cruz 104:31–40
    Dias LC, Dessoy MA, Silva JNS, Thiemann OH, Oliva G, Andricopulo AD (2009) Quimioterapia da doença de Chagas: estado da arte e perspectivas no desenvolvimento de novos fármacos. Quim Nova 32:2444–2457
    DNDi, Drug for Neglected Disease Initiative (2016a) Chagas disease. http://www.dndi.org/diseases-projects/diseases/chagas.html . Accessed 5 Apr 2016
    DNDi, Drug for Neglected Disease Initiative (2016b) Chagas disease: current treatment. http://www.dndi.org/diseases-projects/diseases/chagas/current-treatment.html . Accessed 5 April 2016
    Doherty D (1997) MOLSIM: molecular mechanics and dynamics simulation software-user’s guide. The Chem21 group Inc, Lake Forest, Version 3.2
    Eakin AE, Mills AA, Harth G, McKerrow JH, Craik CS (1992) The sequence, organization, and expression of the major cysteine protease (cruzain) from Trypanosoma cruzi. J Biol Chem 267:7411–7420
    Gaussian 03W-revision B.02 for Windows (2003) Version 6, Gaussian Inc., Pittsburgh, PA
    Gerets HHJ, Hanon E, Cornet M, Dhalluin S, Depelchin O, Canning M, Atienzar FA (2009) Selection of cytotoxicity markers for the screening of new chemical entities in a pharmaceutical context: a preliminary study using a multiplexing approach. Toxicol in Vitro 23:319–332
    Giarolla J, Ferreira EI (2015) Drug design for neglected disease in Brazil. Mini Rev Med Chem 15:220–242
    Hyperchem Program Release 7 for Windows (2002) Hypercube, Inc., Gainesville, FL
    Judice WAS, Cezari MHS, Lima APCA, Scharfstein J, Chagas JR, Tersariol IL, Juliano MA, Juliano L (2001) Comparision of the specificity, stability and individual rate constants with respective activation parameters for the peptidase activity of cruzipain and its recombinant form, cruzain, from Trypanosoma cruzi. Eur J Biochem 268:6578–6586
    Li R, Kenyon GL, Cohen FE, Chen X, Gong B, Dominguez JN, Davidson E, Kurzban G, Miller RE, Nuzum EO, Rosenthal PJ, McKerrow JH (1995) In vitro antimalarial activity of chalcones and their derivatives. J Med Chem 38:5031–5037
    McGrath ME, Eakin AE, Engel JC, McKerrow JH, Fletterick RJ (1995) The crystal structure of cruzain: a therapeutic target for Chagas‘ disease. J Mol Biol 247:251–259
    Moreira DRM, Leite ACL, Santos RR, Soares MB (2009) Approaches for the development of new anti-Trypanosoma cruzi agents. Curr Drugs Targets 10:212–231
    Morris GM, Huey R, Lindstrom W, Sanner MF, Belew RK, Goodsell DS, Olson AJ (2009) Autodock4 and autodocktools4: automated docking with selective receptor flexibility. J Comp Chem 16:2785–2791
    Mott BT, Ferreira RS, Simeonov A, Jadhav A, Ang KK, Leister W, Shen M, Silveira JT, Doyle PS, Arkin MR, McKerrow JH, Inglese J, Austin CP, Thomas CJ, Shoichet BK, Maloney DJ (2010) Indentification and optimization of inhibitors of Trypanosomal cysteine protease: cruzain, rhodesain, and TbCatB. J Med Chem 53:52–60
    Nunes MCP, Dones W, Morillo CA, Encina JJ, Ribeiro AL (2013) Chagas disease an overview of clinical and epidemiological aspects. J Am Coll Cardiol 62:767–776
    Requena-Mendez A, Aldasoro E, Lazzarari E, Sicuri E, Brown M, Moore DA, Gascon J, Muños J (2015) Prevalence of Chagas disease in latin-american migrants living in europe: a systematic review and meta-analysis. Plos Negl Trop Dis 9:1–15
    Romeiro NC, Aguirre G, Hernandez P, González M, Cerecetto H, Aldana I, Pérez-Silanes S, Monge A, Barreiro EJ, Lima LM (2009) Synthesis, trypanocidal activity and docking studies of novel quinaxoline-N-acylhydrazones, designed as cruzain inhibitors candidates. Bioorg Med Chem 17:641–652
    Sarsour EH, Kumar MG, Chaudhuri L, Kalen AL, Goswami PC (2009) Redox control of the cell cycle in health and disease. Antioxid Redox Signal 11:2985–3011
    Schmunis GA, Yadon ZE (2010) Chagas disease: a latin American health problem becoming a world health problem. Acta Trop 115:14–21
    Serafim RAM, Gonçalves JE, de Souza FP, Loureiro APM, Storpirtis S, Krogh R, Andricopulo AD, Dias LC, Ferreira EI (2014) Design, synthesis and biological evaluation of hybrid bioisoster derivatives of N-acylhydrazone and furoxan groups with potential and selective anti-Trypanosoma cruzi activity. Eur J Med Chem 82:418–425
    Stewart JJP (2004) Optimization of parameters for semiempirical methods I. method. J Comput Chem 10:209–220
    Taft CA, Silva VB, Silva CH (2008) Current topics in computer aided drug design. J Pharm Sci 97:1089–1098
    Yoshiro R, Yasuo N, Inaoka DK, Hagiwara Y, Ohno K, Orita M, Inoue M, Shiba T, Harada S, Honma T, Balogun EO, da Rocha JR, Montanari CA, Kita K, Sekijima M (2015) Pharmacophore modeling for anti-chagas drug design using the fragment molecular orbital method. Plos One 10:1–15
    WHO, World Health Organization (2016) Chagas disease. http://www.who.int/mediacentre/factsheets/fs340/en/ . Accessed 5 April 2016

Digital Library of Intellectual Production of Universidade de São Paulo     2012 - 2020