Oseltamivir, uma correlação de deslocamento químico de 13c / Oseltamivir, a 13c chemical displacement correlation
DOI:
https://doi.org/10.34117/bjdv5n11-227Keywords:
GIAO-NMR, mPW1PW91/6-31G, Fator de escalonamento.Abstract
Nesse trabalho temos a intensão de correlacionar deslocamento químico RMN de 13C escalonado com deslocamento químico experimental de OST baseado na aplicação de fator de escalonamento.
References
CIFTCI, E.; KARBUZ, A.; KENDIRLI, T. Influenza and the use of oseltamivir in children. Türk Pediatri Ar?ivi, v. 51, n. 2, p. 63–71, 2016.
D’SOUZA, C. et al. Search for novel neuraminidase inhibitors: Design, synthesis and interaction of oseltamivir derivatives with model membrane using docking, NMR and
DSC methods. Biochimica et Biophysica Acta (BBA) - Biomembranes, v. 1788, n. 9, p. 1740–1751, set. 2009.
DA SILVA, G.; IHA, K. Polimorfismo: Caracterização e estudo das propriedades de uma fase cristalina. Journal of Aerospace Technology and Management, v. 2, n. 3, p. 331–338, 2010.
HIREMATH, S. M. et al. Molecular structure, vibrational spectra, NMR, UV, NBO, NLO, HOMO-LUMO and molecular docking of 2-(4, 6-dimethyl-1-benzofuran-3-yl) acetic acid (2DBAA): Experimental and theoretical approach. Journal of Molecular Structure, v. 1171, n. 6, p. 362–374, nov. 2018.
HOFSTETTER, A.; EMSLEY, L. Positional Variance in NMR Crystallography. Journal of the American Chemical Society, v. 139, n. 7, p. 2573–2576, 22 fev. 2017.
HUNG, I. F. N. et al. Efficacy of Clarithromycin-Naproxen-Oseltamivir Combination in the Treatment of Patients Hospitalized for Influenza A(H3N2) Infection. Chest, v. 151, n. 5, p. 1069–1080, maio 2017.
JOSÉ M. FRAILE; CARLOS J. SAAVEDRA. Application of Heterogeneous Catalysts in the First Steps of the Oseltamivir Synthesis. Catalysts, v. 7, n. 12, p. 393, 2017.
LAKSHMI PRASANTHI, N. et al. A Review on Polymorphism Perpetuates Pharmaceuticals. American Journal of Advanced Drug Delivery, v. 4, n. 5, 2016.
LI, Y. et al. Inhibitory activity of selenium nanoparticles functionalized with oseltamivir on H1N1 influenza virus. p. 5733–5743, 2017.
LIU, S. S. et al. Susceptibility of influenza A(H1N1)/pdm2009, seasonal A(H3N2) and B viruses to Oseltamivir in Guangdong, China between 2009 and 2014. Scientific Reports, v. 7, n. 1, p. 1–11, 2017.
MATOS, A. R. et al. Susceptibility of Brazilian influenza A(H1N1)pdm09 viruses to neuraminidase inhibitors in the 2014–2016 seasons: Identification oMatos, Aline R., Paola C. Resende, Milene D. Miranda, Cristiana C. Garcia, Braulia C. Caetano, Jonathan C.O. Lopes, Maria C. D. Antiviral Research, v. 154, p. 35–43, 2018.
PANKRATYEV, E. Y.; TULYABAEV, A. R.; KHALILOV, L. M. How reliable are GIAO calculations of 1H and 13C NMR chemical shifts? A statistical analysis and empirical corrections at DFT (PBE/3z) level. Journal of Computational Chemistry, v. 32, n. 9, p. 1993–1997, 15 jul. 2011.