Alves CN - Search Results

1

Targeting the cell wall of Mycobacterium tuberculosis: a molecular modeling investigation of the interaction of imipenem and meropenem with L,D-transpeptidase 2.

Silva JR, Bishai WR, Govender T, Lamichhane G, Maguire GE, Kruger HG, Lameira J, Alves CN. Silva JR, et al. Among authors: alves cn. J Biomol Struct Dyn. 2016;34(2):304-17. doi: 10.1080/07391102.2015.1029000. Epub 2015 Jul 24. J Biomol Struct Dyn. 2016. PMID: 25762064

2

A density functional study of flavonoid compounds with anti-HIV activity.

Lameira J, Alves CN, Moliner V, Silla E. Lameira J, et al. Among authors: alves cn. Eur J Med Chem. 2006 May;41(5):616-23. doi: 10.1016/j.ejmech.2006.01.008. Epub 2006 Mar 13. Eur J Med Chem. 2006. PMID: 16530886

3

Structure-activity relationship study of flavone compounds with anti-HIV-1 integrase activity: a density functional theory study.

Lameira J, Medeiros IG, Reis M, Santos AS, Alves CN. Lameira J, et al. Among authors: alves cn. Bioorg Med Chem. 2006 Nov 1;14(21):7105-12. doi: 10.1016/j.bmc.2006.07.005. Epub 2006 Aug 4. Bioorg Med Chem. 2006. PMID: 16890444

4

A theoretical study of phenolic compounds with antioxidant properties.

Reis M, Lobato B, Lameira J, Santos AS, Alves CN. Reis M, et al. Among authors: alves cn. Eur J Med Chem. 2007 Apr;42(4):440-6. doi: 10.1016/j.ejmech.2006.11.008. Epub 2006 Nov 29. Eur J Med Chem. 2007. PMID: 17227686

5

A quantum mechanics/molecular mechanics study of the protein-ligand interaction of two potent inhibitors of human O-GlcNAcase: PUGNAc and NAG-thiazoline.

Lameira J, Alves CN, Moliner V, Martí S, Kanaan N, Tuñón I. Lameira J, et al. Among authors: alves cn. J Phys Chem B. 2008 Nov 13;112(45):14260-6. doi: 10.1021/jp804626j. Epub 2008 Oct 22. J Phys Chem B. 2008. PMID: 18939790

6

Quantum mechanical/molecular mechanical molecular dynamics simulation of wild-type and seven mutants of CpNagJ in complex with PUGNAc.

Lameira J, Alves CN, Moliner V, Martí S, Castillo R, Tuñón I. Lameira J, et al. Among authors: alves cn. J Phys Chem B. 2010 May 27;114(20):7029-36. doi: 10.1021/jp9115673. J Phys Chem B. 2010. PMID: 20429600

7

Computational analysis of aspartic protease plasmepsin II complexed with EH58 inhibitor: a QM/MM MD study.

de Farias Silva N, Lameira J, Alves CN. de Farias Silva N, et al. Among authors: alves cn. J Mol Model. 2011 Oct;17(10):2631-8. doi: 10.1007/s00894-011-0963-1. Epub 2011 Jan 25. J Mol Model. 2011. PMID: 21264482

8

Enzyme molecular mechanism as a starting point to design new inhibitors: a theoretical study of O-GlcNAcase.

Lameira J, Alves CN, Tuñón I, Martí S, Moliner V. Lameira J, et al. Among authors: alves cn. J Phys Chem B. 2011 May 26;115(20):6764-75. doi: 10.1021/jp202079e. Epub 2011 May 4. J Phys Chem B. 2011. PMID: 21542586

9

Homology modeling, molecular dynamics and QM/MM study of the regulatory protein PhoP from Corynebacterium pseudotuberculosis.

Moraes G, Azevedo V, Costa M, Miyoshi A, Silva A, da Silva V, de Oliveira D, Teixeira MF, Lameira J, Alves CN. Moraes G, et al. Among authors: alves cn. J Mol Model. 2012 Mar;18(3):1219-27. doi: 10.1007/s00894-011-1145-x. Epub 2011 Jun 24. J Mol Model. 2012. PMID: 21701810

10

Identification of (-)(E)-N-[2(S)-Hydroxy-2-(4-hydroxyphenyl) ethyl]ferulamide, a natural product isolated from Croton pullei: theoretical and experimental analysis.

Silva Sde O, Peixoto RN, Silva JR, Alves CN, Guilhon GM, Santos LS, Brasil Ddo S. Silva Sde O, et al. Among authors: alves cn. Int J Mol Sci. 2011;12(12):9389-403. doi: 10.3390/ijms12129389. Epub 2011 Dec 15. Int J Mol Sci. 2011. PMID: 22272139 Free PMC article.

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