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Items: 1 to 50 of 64

1.

X-linked spinal and bulbar muscular atrophy (Kennedy's disease): the first case described in the Brazilian Amazon.

Alves CN, Braga TKK, Somensi DN, Nascimento BSVD, Lima JAS, Fujihara S.

Einstein (Sao Paulo). 2018 Jun 7;16(2):eRC4011. doi: 10.1590/S1679-45082018RC4011. English, Portuguese.

2.

Molecular description of α-keto-based inhibitors of cruzain with activity against Chagas disease combining 3D-QSAR studies and molecular dynamics.

Saraiva ÁPB, Miranda RM, Valente RPP, Araújo JO, Souza RNB, Costa CHS, Oliveira ARS, Almeida MO, Figueiredo AF, Ferreira JEV, Alves CN, Honorio KM.

Chem Biol Drug Des. 2018 Aug;92(2):1475-1487. doi: 10.1111/cbdd.13313. Epub 2018 May 18.

PMID:
29682904
3.

What clinical, functional, and psychological factors before treatment are predictors of poor quality of life in cancer patients at the end of chemotherapy?

Mangia AS, Coqueiro NLO, Azevedo FC, Araujo HTDS, Amorim EO, Alves CNR, Camargo C, Fonseca AJD.

Rev Assoc Med Bras (1992). 2017 Nov;63(11):978-987. doi: 10.1590/1806-9282.63.11.978.

4.

Computational analyses of interactions between ALK-5 and bioactive ligands: insights for the design of potential anticancer agents.

Almeida MO, Costa CHS, Gomes GC, Lameira J, Alves CN, Honorio KM.

J Biomol Struct Dyn. 2017 Nov 28:1-13. doi: 10.1080/07391102.2017.1404938. [Epub ahead of print]

PMID:
29132261
5.

Unraveling the Addition-Elimination Mechanism of EPSP Synthase through Computer Modeling.

Dos Santos AM, Lima AH, Alves CN, Lameira J.

J Phys Chem B. 2017 Sep 21;121(37):8626-8637. doi: 10.1021/acs.jpcb.7b05063. Epub 2017 Sep 8.

PMID:
28829128
6.

Mycobacterium abscessus l,d-Transpeptidases Are Susceptible to Inactivation by Carbapenems and Cephalosporins but Not Penicillins.

Kumar P, Chauhan V, Silva JRA, Lameira J, d'Andrea FB, Li SG, Ginell SL, Freundlich JS, Alves CN, Bailey S, Cohen KA, Lamichhane G.

Antimicrob Agents Chemother. 2017 Sep 22;61(10). pii: e00866-17. doi: 10.1128/AAC.00866-17. Print 2017 Oct.

7.

Inhibition of tyrosinase by 4H-chromene analogs: Synthesis, kinetic studies, and computational analysis.

Brasil EM, Canavieira LM, Cardoso ÉTC, Silva EO, Lameira J, Nascimento JLM, Eifler-Lima VL, Macchi BM, Sriram D, Bernhardt PV, Silva JRA, Williams CM, Alves CN.

Chem Biol Drug Des. 2017 Nov;90(5):804-810. doi: 10.1111/cbdd.13001. Epub 2017 Jun 12.

PMID:
28390091
8.

Synthesis, antimalarial activity in vitro, and docking studies of novel neolignan derivatives.

Pereira GAN, Souza GC, Santos LS, Barata LES, Meneses CCF, Krettli AU, Daniel-Ribeiro CT, Alves CN.

Chem Biol Drug Des. 2017 Sep;90(3):464-472. doi: 10.1111/cbdd.12968. Epub 2017 Apr 6.

PMID:
28245094
9.

Factors related to non-adherence to mammography in a city of the Brazilian Amazonian area: A population-based study.

Souza CI, Araújo DS, Teles DA, Carvalho SG, Cavalcante KW, Rabelo WL, Alves CN, Fonseca AJ.

Rev Assoc Med Bras (1992). 2017 Jan 1;63(1):35-42. doi: 10.1590/1806-9282.63.01.35.

10.

Computed insight into a peptide inhibitor preventing the induced fit mechanism of MurA enzyme from Pseudomonas aeruginosa.

Lima AH, Dos Santos AM, Alves CN, Lameira J.

Chem Biol Drug Des. 2017 Apr;89(4):599-607. doi: 10.1111/cbdd.12882. Epub 2016 Nov 16.

PMID:
27736019
11.

Exploring the origin of the catalytic power and product specificity of SET domain protein methyltransferase.

Lima AH, Alves CN, Prasad R, Lameira J.

Mol Biosyst. 2016 Oct 20;12(10):2980-3. doi: 10.1039/c6mb00414h. Epub 2016 Aug 1.

PMID:
27477893
12.

A Computational Analysis of Indomethacin Derivative as Tubulin Inhibitor: Insights into Development of Chemotherapeutic Agents.

Costa KM, Alves CN, Silva JR, Lameira J.

Comb Chem High Throughput Screen. 2016;19(6):431-6.

PMID:
27141989
13.

[Focus groups with women from quilombo communities in Brazil].

Prates LA, Ceccon FG, Alves CN, Wilhelm LA, Demori CC, Silva SC, Ressel LB.

Cad Saude Publica. 2015 Dec;31(12):2483-92. doi: 10.1590/0102-311X00006715. Portuguese.

14.

Binding Free Energy Calculations of Nine FDA-approved Protease Inhibitors Against HIV-1 Subtype C I36T↑T Containing 100 Amino Acids Per Monomer.

Lockhat HA, Silva JR, Alves CN, Govender T, Lameira J, Maguire GE, Sayed Y, Kruger HG.

Chem Biol Drug Des. 2016 Apr;87(4):487-98. doi: 10.1111/cbdd.12690. Epub 2016 Jan 29.

PMID:
26613568
15.

A comparative modeling and molecular docking study on Mycobacterium tuberculosis targets involved in peptidoglycan biosynthesis.

Fakhar Z, Naiker S, Alves CN, Govender T, Maguire GE, Lameira J, Lamichhane G, Kruger HG, Honarparvar B.

J Biomol Struct Dyn. 2016 Nov;34(11):2399-417. doi: 10.1080/07391102.2015.1117397. Epub 2016 Apr 4.

PMID:
26612108
16.

Simulating the inhibition reaction of Mycobacterium tuberculosis L,D-transpeptidase 2 by carbapenems.

Silva JR, Govender T, Maguire GE, Kruger HG, Lameira J, Roitberg AE, Alves CN.

Chem Commun (Camb). 2015 Aug 14;51(63):12560-2. doi: 10.1039/c5cc03202d.

PMID:
26153571
17.

Insights into the mechanism of oxidation of dihydroorotate to orotate catalysed by human class 2 dihydroorotate dehydrogenase: a QM/MM free energy study.

Alves CN, Silva JR, Roitberg AE.

Phys Chem Chem Phys. 2015 Jul 21;17(27):17790-6. doi: 10.1039/c5cp02016f. Epub 2015 Jun 19.

PMID:
26087682
18.

Virtual Screening and Molecular Dynamics Simulations from a Bank of Molecules of the Amazon Region Against Functional NS3-4A Protease-Helicase Enzyme of Hepatitis C Virus.

Pinheiro AS, Duarte JB, Alves CN, de Molfetta FA.

Appl Biochem Biotechnol. 2015 Jul;176(6):1709-21. doi: 10.1007/s12010-015-1672-5. Epub 2015 May 26.

PMID:
26009474
19.

Pentacycloundecane lactam vs lactone norstatine type protease HIV inhibitors: binding energy calculations and DFT study.

Honarparvar B, Pawar SA, Alves CN, Lameira J, Maguire GE, Silva JR, Govender T, Kruger HG.

J Biomed Sci. 2015 Feb 18;22:15. doi: 10.1186/s12929-015-0115-5.

20.

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.

J Biomol Struct Dyn. 2016;34(2):304-17. doi: 10.1080/07391102.2015.1029000. Epub 2015 Jul 24.

PMID:
25762064
21.

Structural and functional features of enzymes of Mycobacterium tuberculosis peptidoglycan biosynthesis as targets for drug development.

Moraes GL, Gomes GC, Monteiro de Sousa PR, Alves CN, Govender T, Kruger HG, Maguire GE, Lamichhane G, Lameira J.

Tuberculosis (Edinb). 2015 Mar;95(2):95-111. doi: 10.1016/j.tube.2015.01.006. Epub 2015 Jan 29. Review.

22.

A QM/MM free energy study of the oxidation mechanism of dihydroorotate dehydrogenase (class 1A) from Lactococcus lactis.

Silva JR, Roitberg AE, Alves CN.

J Phys Chem B. 2015 Jan 29;119(4):1468-73. doi: 10.1021/jp512860r. Epub 2015 Jan 20.

PMID:
25564307
23.

["The Unified Health System that works": actions of humanization of prenatal care].

Barreto CN, Wilhelm LA, Silva SC, Alves CN, Cremonese L, Ressel LB.

Rev Gaucha Enferm. 2015;36 Spec No:168-76. doi: 10.1590/1983-1447.2015.esp.56769. Portuguese.

24.

Mercury levels assessment in hair of riverside inhabitants of the Tapajós River, Pará State, Amazon, Brazil: fish consumption as a possible route of exposure.

Faial K, Deus R, Deus S, Neves R, Jesus I, Santos E, Alves CN, Brasil D.

J Trace Elem Med Biol. 2015 Apr;30:66-76. doi: 10.1016/j.jtemb.2014.10.009. Epub 2014 Nov 11.

PMID:
25467850
25.

Antifungal activity and computational study of constituents from Piper divaricatum essential oil against Fusarium infection in black pepper.

da Silva JK, Silva JR, Nascimento SB, da Luz SF, Meireles EN, Alves CN, Ramos AR, Maia JG.

Molecules. 2014 Nov 4;19(11):17926-42. doi: 10.3390/molecules191117926.

26.

The melatonin analog 5-MCA-NAT increases endogenous dopamine levels by binding NRH:quinone reductase enzyme in the developing chick retina.

Sampaio Lde F, Mesquita FP, de Sousa PR, Silva JL, Alves CN.

Int J Dev Neurosci. 2014 Nov;38:119-26. doi: 10.1016/j.ijdevneu.2014.09.001. Epub 2014 Sep 10.

PMID:
25218627
27.

Catalytic mechanism of L,D-transpeptidase 2 from Mycobacterium tuberculosis described by a computational approach: insights for the design of new antibiotics drugs.

Silva JR, Roitberg AE, Alves CN.

J Chem Inf Model. 2014 Sep 22;54(9):2402-10. doi: 10.1021/ci5003069. Epub 2014 Aug 29.

PMID:
25149147
28.

Combined kinetic studies and computational analysis on kojic acid analogous as tyrosinase inhibitors.

Lima CR, Silva JR, de Tássia Carvalho Cardoso E, Silva EO, Lameira J, do Nascimento JL, do Socorro Barros Brasil D, Alves CN.

Molecules. 2014 Jul 7;19(7):9591-605. doi: 10.3390/molecules19079591.

29.

Acetylcholinesterase inhibitory activity and molecular docking study of 1-nitro-2-phenylethane, the main constituent of Aniba canelilla essential oil.

Silva NN, Silva JR, Alves CN, Andrade EH, da Silva JK, Maia JG.

Chem Biol Drug Des. 2014 Aug;84(2):192-8. doi: 10.1111/cbdd.12304. Epub 2014 Mar 24.

PMID:
24661632
30.

Structural analysis of viral infectivity factor of HIV type 1 and its interaction with A3G, EloC and EloB.

da Costa KS, Leal E, dos Santos AM, Lima e Lima AH, Alves CN, Lameira J.

PLoS One. 2014 Feb 26;9(2):e89116. doi: 10.1371/journal.pone.0089116. eCollection 2014.

31.

Computational study of the mechanism of half-reactions in class 1A dihydroorotate dehydrogenase from Trypanosoma cruzi.

Silva Nde F, Lameira J, Alves CN, Martí S.

Phys Chem Chem Phys. 2013 Nov 21;15(43):18863-71. doi: 10.1039/c3cp52692e.

PMID:
24084894
32.

Analysis of the structure of calpain-10 and its interaction with the protease inhibitor SNJ-1715.

da Silva RC, de Alencar NA, Alves CN, Lameira J.

Comput Biol Med. 2013 Oct;43(10):1334-40. doi: 10.1016/j.compbiomed.2013.07.010. Epub 2013 Jul 17.

33.

Design and evaluation of 4-aminophenol and salicylate derivatives as free-radical scavenger.

Borges RS, Pereira GA, Vale JK, França LC, Monteiro MC, Alves CN, da Silva AB.

Chem Biol Drug Des. 2013 Mar;81(3):414-9. doi: 10.1111/cbdd.12096.

PMID:
23405943
34.

The catalytic mechanism of glyceraldehyde 3-phosphate dehydrogenase from Trypanosoma cruzi elucidated via the QM/MM approach.

Reis M, Alves CN, Lameira J, Tuñón I, Martí S, Moliner V.

Phys Chem Chem Phys. 2013 Mar 21;15(11):3772-85. doi: 10.1039/c3cp43968b.

PMID:
23389436
35.

Mercury speciation in hair of children in three communities of the Amazon, Brazil.

Marinho JS, Lima MO, de Oliveira Santos EC, de Jesus IM, da Conceição N Pinheiro M, Alves CN, Muller RC.

Biomed Res Int. 2014;2014:945963. doi: 10.1155/2014/945963. Epub 2014 Mar 11.

36.

Protein-ligand interaction study of CpOGA in complex with GlcNAcstatin.

Sousa PR, de Alencar NA, Lima AH, Lameira J, Alves CN.

Chem Biol Drug Des. 2013 Feb;81(2):284-90. doi: 10.1111/cbdd.12078. Epub 2012 Nov 27.

PMID:
23066949
37.

Computational analysis of human OGA structure in complex with PUGNAc and NAG-thiazoline derivatives.

de Alencar NA, Sousa PR, Silva JR, Lameira J, Alves CN, Martí S, Moliner V.

J Chem Inf Model. 2012 Oct 22;52(10):2775-83. doi: 10.1021/ci2006005. Epub 2012 Sep 18.

PMID:
22937904
38.

Diversity and three-dimensional structures of the alpha Mcr of the methanogenic Archaea from the anoxic region of Tucuruí Lake, in Eastern Brazilian Amazonia.

Santana PB, Junior RG, Alves CN, Silva JL, McCulloch JA, Schneider MP, da Costa da Silva A.

Genet Mol Biol. 2012 Jan;35(1):126-33. Epub 2012 Jan 20.

39.

Molecular modeling of T. rangeli, T. brucei gambiense, and T. evansi sialidases in complex with the DANA inhibitor.

Lima AH, Souza PR, Alencar N, Lameira J, Govender T, Kruger HG, Maguire GE, Alves CN.

Chem Biol Drug Des. 2012 Jul;80(1):114-20. doi: 10.1111/j.1747-0285.2012.01380.x. Epub 2012 Apr 13.

PMID:
22416952
40.

Structure modeling of a metalloendopeptidase from Corynebacterium pseudotuberculosis.

Guimarães LC, Silva NF, Miyoshi A, Schneider MP, Silva A, Azevedo V, Brasil DS, Lameira J, Alves CN.

Comput Biol Med. 2012 May;42(5):538-41. doi: 10.1016/j.compbiomed.2012.01.006. Epub 2012 Feb 18.

PMID:
22342425
41.

Synthesis, 2D-NMR and molecular modelling studies of pentacycloundecane lactam-peptides and peptoids as potential HIV-1 wild type C-SA protease inhibitors.

Makatini MM, Petzold K, Alves CN, Arvidsson PI, Honarparvar B, Govender P, Govender T, Kruger HG, Sayed Y, JerônimoLameira, Maguire GE, Soliman ME.

J Enzyme Inhib Med Chem. 2013 Feb;28(1):78-88. doi: 10.3109/14756366.2011.633907. Epub 2012 Feb 17.

PMID:
22339087
42.

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.

Int J Mol Sci. 2011;12(12):9389-403. doi: 10.3390/ijms12129389. Epub 2011 Dec 15.

43.

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.

J Mol Model. 2012 Mar;18(3):1219-27. doi: 10.1007/s00894-011-1145-x. Epub 2011 Jun 24.

PMID:
21701810
44.

Biotransformation of sucrose into 5-hydroxy-2-hydroxymethyl-γ-pirone by Aspergillus flavus.

Ferreira NR, Sarquis MI, Alves CN, Santos AS.

An Acad Bras Cienc. 2010 Sep;82(3):569-76.

45.

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.

J Phys Chem B. 2011 May 26;115(20):6764-75. doi: 10.1021/jp202079e. Epub 2011 May 4.

PMID:
21542586
46.

Structure of dihydrochalcones and related derivatives and their scavenging and antioxidant activity against oxygen and nitrogen radical species.

Bentes AL, Borges RS, Monteiro WR, de Macedo LG, Alves CN.

Molecules. 2011 Feb 21;16(2):1749-60. doi: 10.3390/molecules16021749.

47.

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

de Farias Silva N, Lameira J, Alves CN.

J Mol Model. 2011 Oct;17(10):2631-8. doi: 10.1007/s00894-011-0963-1. Epub 2011 Jan 25.

PMID:
21264482
48.

Kojic acid, a secondary metabolite from Aspergillus sp., acts as an inducer of macrophage activation.

Rodrigues AP, Carvalho AS, Santos AS, Alves CN, do Nascimento JL, Silva EO.

Cell Biol Int. 2011 Apr;35(4):335-43. doi: 10.1042/CBI20100083.

PMID:
21044044
49.

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.

J Phys Chem B. 2010 May 27;114(20):7029-36. doi: 10.1021/jp9115673.

PMID:
20429600
50.

Inspiratory resistive loading after all-out exercise improves subsequent performance.

Chiappa GR, Ribeiro JP, Alves CN, Vieira PJ, Dubas J, Queiroga F Jr, Batista LD, Silva AC, Neder JA.

Eur J Appl Physiol. 2009 May;106(2):297-303. doi: 10.1007/s00421-009-1022-9. Epub 2009 Mar 6.

PMID:
19266213

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