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Items: 1 to 20 of 22

1.

Exploring the unbinding of Leishmania (L.) amazonensis CPB derived-epitopes from H2 MHC class I proteins.

Brandt AM, Batista PR, Souza-Silva F, Alves CR, Caffarena ER.

Proteins. 2016 Jan 21. doi: 10.1002/prot.24994. [Epub ahead of print]

PMID:
26798994
2.

Computational drug design strategies applied to the modelling of human immunodeficiency virus-1 reverse transcriptase inhibitors.

Santos LH, Ferreira RS, Caffarena ER.

Mem Inst Oswaldo Cruz. 2015 Nov;110(7):847-64. doi: 10.1590/0074-02760150239.

3.

Gedunin Binds to Myeloid Differentiation Protein 2 and Impairs Lipopolysaccharide-Induced Toll-Like Receptor 4 Signaling in Macrophages.

Borges PV, Moret KH, Maya-Monteiro CM, Souza-Silva F, Alves CR, Batista PR, Caffarena ER, Pacheco P, Henriques Md, Penido C.

Mol Pharmacol. 2015 Nov;88(5):949-61. doi: 10.1124/mol.115.098970. Epub 2015 Sep 1.

PMID:
26330549
4.

In Silico Identification of Novel APRIL Peptide Antagonists and Binding Insights by Molecular Modeling and Immunosorbent Assays.

Silva JH, Calmon-Hamaty F, Savino W, Hahne M, Caffarena ER.

Protein Pept Lett. 2015;22(5):432-42.

PMID:
25731591
5.

Epoxy-α-lapachone has in vitro and in vivo anti-leishmania (Leishmania) amazonensis effects and inhibits serine proteinase activity in this parasite.

Souza-Silva F, Bourguignon SC, Pereira BA, Côrtes LM, de Oliveira LF, Henriques-Pons A, Finkelstein LC, Ferreira VF, Carneiro PF, de Pinho RT, Caffarena ER, Alves CR.

Antimicrob Agents Chemother. 2015 Apr;59(4):1910-8. doi: 10.1128/AAC.04742-14. Epub 2015 Jan 12.

6.

Megazol and its bioisostere 4H-1,2,4-triazole: comparing the trypanocidal, cytotoxic and genotoxic activities and their in vitro and in silico interactions with the Trypanosoma brucei nitroreductase enzyme.

Carvalho AS, Salomão K, Castro SL, Conde TR, Zamith HP, Caffarena ER, Hall BS, Wilkinson SR, Boechat N.

Mem Inst Oswaldo Cruz. 2014 Jun;109(3):315-23. Epub 2014 Mar 18.

7.

Structural and molecular modeling features of P2X receptors.

Alves LA, da Silva JH, Ferreira DN, Fidalgo-Neto AA, Teixeira PC, de Souza CA, Caffarena ER, de Freitas MS.

Int J Mol Sci. 2014 Mar 14;15(3):4531-49. doi: 10.3390/ijms15034531. Review.

8.

Dynamic identification of H2 epitopes from Leishmania (Leishmania) amazonensis cysteine proteinase B with potential immune activity during murine infection.

Souza-Silva F, Pereira BA, Finkelstein LC, Zucolotto V, Caffarena ER, Alves CR.

J Mol Recognit. 2014 Feb;27(2):98-105. doi: 10.1002/jmr.2334.

PMID:
24436127
9.

Toll-like receptor 1 N248S single-nucleotide polymorphism is associated with leprosy risk and regulates immune activation during mycobacterial infection.

Marques Cde S, Brito-de-Souza VN, Guerreiro LT, Martins JH, Amaral EP, Cardoso CC, Dias-Batista IM, Silva WL, Nery JA, Medeiros P, Gigliotti P, Campanelli AP, Virmond M, Sarno EN, Mira MT, Lana FC, Caffarena ER, Pacheco AG, Pereira AC, Moraes MO.

J Infect Dis. 2013 Jul;208(1):120-9. doi: 10.1093/infdis/jit133. Epub 2013 Apr 1.

10.

Computational modeling of the bHLH domain of the transcription factor TWIST1 and R118C, S144R and K145E mutants.

Maia AM, da Silva JH, Mencalha AL, Caffarena ER, Abdelhay E.

BMC Bioinformatics. 2012 Jul 28;13:184. doi: 10.1186/1471-2105-13-184.

11.

Naturally occurring genetic variants of human caspase-1 differ considerably in structure and the ability to activate interleukin-1β.

Luksch H, Romanowski MJ, Chara O, Tüngler V, Caffarena ER, Heymann MC, Lohse P, Aksentijevich I, Remmers EF, Flecks S, Quoos N, Gramatté J, Petzold C, Hofmann SR, Winkler S, Pessler F, Kallinich T, Ganser G, Nimtz-Talaska A, Baumann U, Runde V, Grimbacher B, Birmelin J, Gahr M, Roesler J, Rösen-Wolff A.

Hum Mutat. 2013 Jan;34(1):122-31. doi: 10.1002/humu.22169. Epub 2012 Aug 10.

PMID:
22833538
12.

Molecular interactions of c-ABL mutants in complex with imatinib/nilotinib: a computational study using linear interaction energy (LIE) calculations.

Pereira EG, Moreira MA, Caffarena ER.

J Mol Model. 2012 Sep;18(9):4333-41. doi: 10.1007/s00894-012-1436-x. Epub 2012 May 9.

PMID:
22570081
13.

Structure-based functional inference of hypothetical proteins from Mycoplasma hyopneumoniae.

da Fonsêca MM, Zaha A, Caffarena ER, Vasconcelos AT.

J Mol Model. 2012 May;18(5):1917-25. doi: 10.1007/s00894-011-1212-3. Epub 2011 Aug 26.

14.

In silico predicted epitopes from the COOH-terminal extension of cysteine proteinase B inducing distinct immune responses during Leishmania (Leishmania) amazonensis experimental murine infection.

Pereira BA, Silva FS, Rebello KM, Marín-Villa M, Traub-Cseko YM, Andrade TC, Bertho ÁL, Caffarena ER, Alves CR.

BMC Immunol. 2011 Aug 8;12:44. doi: 10.1186/1471-2172-12-44.

15.

New parameterization approaches of the LIE method to improve free energy calculations of PlmII-Inhibitors complexes.

Valiente PA, Gil A, Batista PR, Caffarena ER, Pons T, Pascutti PG.

J Comput Chem. 2010 Nov 30;31(15):2723-34. doi: 10.1002/jcc.21566.

PMID:
20839299
16.

Synthesis, antimalarial evaluation and molecular modeling studies of hydroxyethylpiperazines, potential aspartyl protease inhibitors, part 2.

Cunico W, Gomes CR, Facchinetti V, Moreth M, Penido C, Henriques MG, Varotti FP, Krettli LG, Krettli AU, da Silva FS, Caffarena ER, de Magalhães CS.

Eur J Med Chem. 2009 Sep;44(9):3816-20. doi: 10.1016/j.ejmech.2009.03.041. Epub 2009 Apr 8.

PMID:
19403210
17.

Predictions suggesting a participation of beta-sheet configuration in the M2 domain of the P2X(7) receptor: a novel conformation?

Teixeira PC, de Souza CA, de Freitas MS, Foguel D, Caffarena ER, Alves LA.

Biophys J. 2009 Feb;96(3):951-63. doi: 10.1016/j.bpj.2008.10.043.

18.

Molecular docking study and development of an empirical binding free energy model for phosphodiesterase 4 inhibitors.

Oliveira FG, Sant'Anna CM, Caffarena ER, Dardenne LE, Barreiro EJ.

Bioorg Med Chem. 2006 Sep 1;14(17):6001-11. Epub 2006 Jul 14.

PMID:
16843671
20.

Stochastic molecular dynamics of peanut lectin PNA complex with T-antigen disaccharide.

Caffarena ER, Grigera JR, Bisch PM.

J Mol Graph Model. 2002 Dec;21(3):227-40.

PMID:
12463641
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