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Machine intelligence decrypts β-lapachone as an allosteric 5-lipoxygenase inhibitor.
Rodrigues T, Werner M, Roth J, da Cruz EHG, Marques MC, Akkapeddi P, Lobo SA, Koeberle A, Corzana F, da Silva Júnior EN, Werz O, Bernardes GJL. Rodrigues T, et al. Among authors: da cruz ehg. Chem Sci. 2018 Jul 17;9(34):6899-6903. doi: 10.1039/c8sc02634c. eCollection 2018 Sep 14. Chem Sci. 2018. PMID: 30310622 Free PMC article.
1,2,3-triazole-, arylamino- and thio-substituted 1,4-naphthoquinones: potent antitumor activity, electrochemical aspects, and bioisosteric replacement of C-ring-modified lapachones.
da Cruz EH, Hussene CM, Dias GG, Diogo EB, de Melo IM, Rodrigues BL, da Silva MG, Valença WO, Camara CA, de Oliveira RN, de Paiva YG, Goulart MO, Cavalcanti BC, Pessoa C, da Silva Júnior EN. da Cruz EH, et al. Bioorg Med Chem. 2014 Mar 1;22(5):1608-19. doi: 10.1016/j.bmc.2014.01.033. Epub 2014 Jan 31. Bioorg Med Chem. 2014. PMID: 24530030 Free article.
Synthesis and antitumor activity of selenium-containing quinone-based triazoles possessing two redox centres, and their mechanistic insights.
da Cruz EHG, Silvers MA, Jardim GAM, Resende JM, Cavalcanti BC, Bomfim IS, Pessoa C, de Simone CA, Botteselle GV, Braga AL, Nair DK, Namboothiri INN, Boothman DA, da Silva Júnior EN. da Cruz EHG, et al. Eur J Med Chem. 2016 Oct 21;122:1-16. doi: 10.1016/j.ejmech.2016.06.019. Epub 2016 Jun 14. Eur J Med Chem. 2016. PMID: 27341379 Free PMC article.