Studies of NMR, molecular docking, and molecular dynamics simulation of new promising inhibitors of cruzaine from the parasite Trypanosoma cruzi-Reference-Cited by-同舟云学术

Studies of NMR, molecular docking, and molecular dynamics simulation of new promising inhibitors of cruzaine from the parasite Trypanosoma cruzi

Published:2018-12-25 Issue:3 Volume:28 Page:246-259
ISSN:1054-2523
Container-title:Medicinal Chemistry Research
language:en
Short-container-title:Med Chem Res

Author:

Costa Renato A.,Cruz Jorddy N.^ORCID,Nascimento Fabiana C. A.,Silva Sebastião G.,Silva Silvana O.,Martelli Marlice C.,Carvalho Samira M. L.,Santos Cleydson B. R.,Neto Antonio M. J. C.,Brasil Davi S. B.

Publisher

Springer Science and Business Media LLC

Subject

Organic Chemistry,General Pharmacology, Toxicology and Pharmaceutics

Link

http://link.springer.com/article/10.1007/s00044-018-2280-z/fulltext.html

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2. Arafet K, Ferrer S, Moliner V (2017) Computational study of the catalytic mechanism of the cruzain cysteine protease. ACS Catal 7:1207–1215

3. Borges RS, Vale JKL, Pereira GAN, Veiga AAS, Junior JB, da Silva ABF, L Vale JK, N Pereira GA, S Veiga AA, Batista Jr. J, F da Silva AB (2016) An antioxidant mechanism of morphine and related derivatives. Med Chem Res 25:852–857

4. Brak K, Doyle PS, McKerrow JH, Ellman JA (2008) Identification of a new class of nonpeptidic inhibitors of cruzain. J Am Chem Soc 130:6404–6410

5. Brasil DSB, Alves CN, Guilhon GMSP, Muller AH, de S. Secco R, Peris G, Llusar R (2008) Crystal structure and theoretical study of IR and 1H and 13C NMR spectra of cordatin, a natural product with antiulcerogenic activity. Int J Quantum Chem 108:2564–2575

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