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Items: 1 to 50 of 104

1.

Mitochondriotropic action and DNA protection: Interactions between phenolic acids and enzymes.

de Abreu TS, Braga MA, Simão AA, Trento MVC, Eleutério MWF, Silva Pereira LL, da Cunha EFF, Marcussi S.

J Biochem Mol Toxicol. 2019 Nov 12:e22417. doi: 10.1002/jbt.22417. [Epub ahead of print]

PMID:
31714652
2.

Disarming Pseudomonas aeruginosa Virulence by the Inhibitory Action of 1,10-Phenanthroline-5,6-Dione-Based Compounds: Elastase B (LasB) as a Chemotherapeutic Target.

Galdino ACM, Viganor L, de Castro AA, da Cunha EFF, Mello TP, Mattos LM, Pereira MD, Hunt MC, O'Shaughnessy M, Howe O, Devereux M, McCann M, Ramalho TC, Branquinha MH, Santos ALS.

Front Microbiol. 2019 Aug 2;10:1701. doi: 10.3389/fmicb.2019.01701. eCollection 2019.

3.

Does induced current density explain the C-H and C-F Perlin effects?

Martins FA, Pires FC, da Cunha EFF, Freitas MP.

Phys Chem Chem Phys. 2019 Aug 28;21(34):18622-18628. doi: 10.1039/c9cp02558h.

PMID:
31414084
4.

Slight difference in the isomeric oximes K206 and K203 makes huge difference for the reactivation of organophosphorus-inhibited AChE: Theoretical and experimental aspects.

Polisel DA, de Castro AA, Mancini DT, da Cunha EFF, França TCC, Ramalho TC, Kuca K.

Chem Biol Interact. 2019 Aug 25;309:108671. doi: 10.1016/j.cbi.2019.05.037. Epub 2019 Jun 15.

PMID:
31207225
5.

Development of technologies applied to the biodegradation of warfare nerve agents: Theoretical evidence for asymmetric homogeneous catalysis.

Pereira AF, de Castro AA, Soares FV, Soares Leal DH, da Cunha EFF, Mancini DT, Ramalho TC.

Chem Biol Interact. 2019 Aug 1;308:323-331. doi: 10.1016/j.cbi.2019.06.007. Epub 2019 Jun 4.

PMID:
31173750
6.

Non-conventional compounds with potential therapeutic effects against Alzheimer's disease.

de Castro AA, Soares FV, Pereira AF, Polisel DA, Caetano MS, Leal DHS, da Cunha EFF, Nepovimova E, Kuca K, Ramalho TC.

Expert Rev Neurother. 2019 May;19(5):375-395. doi: 10.1080/14737175.2019.1608823. Epub 2019 Apr 29.

PMID:
30999771
7.

The Role of Intramolecular Interactions on the Bioactive Conformation of Epinephrine.

Silva DR, Silla JM, Santos LA, da Cunha EFF, Freitas MP.

Mol Inform. 2019 Jun;38(6):e1800167. doi: 10.1002/minf.201800167. Epub 2019 Apr 4.

PMID:
30945816
8.

Interactions of cantharidin-like inhibitors with human protein phosphatase-5 in a Mg2+ system: molecular dynamics and quantum calculations.

Assis LC, de Castro AA, Prandi IG, Mancini DT, de Giacoppo JOS, Savedra RML, de Assis TM, Carregal JB, da Cunha EFF, Ramalho TC.

J Mol Model. 2018 Oct 2;24(10):303. doi: 10.1007/s00894-018-3837-y.

PMID:
30280322
9.

QSAR Study of N-Myristoyltransferase Inhibitors of Antimalarial Agents.

Santos-Garcia L, de Mecenas Filho MA, Musilek K, Kuca K, Ramalho TC, da Cunha EFF.

Molecules. 2018 Sep 13;23(9). pii: E2348. doi: 10.3390/molecules23092348.

10.

Insights into the Drug Repositioning Applied to the Alzheimer's Disease Treatment and Future Perspectives.

de Castro AA, da Cunha EFF, Pereira AF, Soares FV, Leal DHS, Kuca K, Ramalho TC.

Curr Alzheimer Res. 2018;15(12):1161-1178. doi: 10.2174/1567205015666180813150703. Review.

PMID:
30101709
11.

Asymmetric biodegradation of the nerve agents Sarin and VX by human dUTPase: chemometrics, molecular docking and hybrid QM/MM calculations.

de Castro AA, Soares FV, Pereira AF, Silva TC, Silva DR, Mancini DT, Caetano MS, da Cunha EFF, Ramalho TC.

J Biomol Struct Dyn. 2019 May;37(8):2154-2164. doi: 10.1080/07391102.2018.1478751. Epub 2019 Jan 9.

PMID:
30044197
12.

Insights into the pharmaceuticals and mechanisms of neurological orphan diseases: Current Status and future expectations.

Ramalho TC, de Castro AA, Tavares TS, Silva MC, Silva DR, Cesar PH, Santos LA, da Cunha EFF, Nepovimova E, Kuca K.

Prog Neurobiol. 2018 Oct;169:135-157. doi: 10.1016/j.pneurobio.2018.06.011. Epub 2018 Jul 4. Review.

PMID:
29981392
13.

Synergism of Plant Compound With Traditional Antimicrobials Against Streptococcus spp. Isolated From Bovine Mastitis.

Maia NL, de Barros M, de Oliveira LL, Cardoso SA, Dos Santos MH, Pieri FA, Ramalho TC, da Cunha EFF, Moreira MAS.

Front Microbiol. 2018 Jun 6;9:1203. doi: 10.3389/fmicb.2018.01203. eCollection 2018.

14.

Theoretical Studies Applied to the Evaluation of the DFPase Bioremediation Potential against Chemical Warfare Agents Intoxication.

Soares FV, de Castro AA, Pereira AF, Leal DHS, Mancini DT, Krejcar O, Ramalho TC, da Cunha EFF, Kuca K.

Int J Mol Sci. 2018 Apr 23;19(4). pii: E1257. doi: 10.3390/ijms19041257.

15.

A newly developed oxime K203 is the most effective reactivator of tabun-inhibited acetylcholinesterase.

Kuca K, Musilek K, Jun D, Zdarova-Karasova J, Nepovimova E, Soukup O, Hrabinova M, Mikler J, Franca TCC, Da Cunha EFF, De Castro AA, Valis M, Ramalho TC.

BMC Pharmacol Toxicol. 2018 Feb 21;19(1):8. doi: 10.1186/s40360-018-0196-3.

16.

Effect of bone morphogenetic proteins 2 and 4 on survival and development of bovine secondary follicles cultured in vitro.

da Cunha EV, Melo LRF, Sousa GB, Araújo VR, Vasconcelos GL, Silva AWB, Silva JRV.

Theriogenology. 2018 Apr 1;110:44-51. doi: 10.1016/j.theriogenology.2017.12.032. Epub 2017 Dec 27.

PMID:
29331831
17.

Can Inhibitors of Snake Venom Phospholipases A₂ Lead to New Insights into Anti-Inflammatory Therapy in Humans? A Theoretical Study.

Sales TA, Marcussi S, da Cunha EFF, Kuca K, Ramalho TC.

Toxins (Basel). 2017 Oct 25;9(11). pii: E341. doi: 10.3390/toxins9110341.

18.

Mitogen-Activated Protein Kinase Kinase 5 Regulates Proliferation and Biosynthetic Processes in Procyclic Forms of Trypanosoma brucei.

Kugeratski FG, Batista M, Lima CVP, Neilson LJ, da Cunha ES, de Godoy LM, Zanivan S, Krieger MA, Marchini FK.

J Proteome Res. 2018 Jan 5;17(1):108-118. doi: 10.1021/acs.jproteome.7b00415. Epub 2017 Nov 7.

PMID:
29043805
19.

Multi-objective Optimization of Benzamide Derivatives as Rho Kinase Inhibitors.

Cardoso Gajo G, Rodrigues Silva D, Barigye SJ, da Cunha EFF.

Mol Inform. 2018 Mar;37(3). doi: 10.1002/minf.201700080. Epub 2017 Sep 6.

PMID:
28876533
20.

Quantitative proteome and phosphoproteome analyses highlight the adherent population during Trypanosoma cruzi metacyclogenesis.

Amorim JC, Batista M, da Cunha ES, Lucena ACR, Lima CVP, Sousa K, Krieger MA, Marchini FK.

Sci Rep. 2017 Aug 29;7(1):9899. doi: 10.1038/s41598-017-10292-3.

21.

Effect of Euterpe oleracea Mart. (Açaí) Oil on Dyslipidemia Caused by Cocos nucifera L. Saturated Fat in Wistar Rats.

Faria E Souza BS, Carvalho HO, Taglialegna T, Barros ASA, da Cunha EL, Ferreira IM, Keita H, Navarrete A, Carvalho JCT.

J Med Food. 2017 Sep;20(9):830-837. doi: 10.1089/jmf.2017.0027. Epub 2017 Jul 21.

PMID:
28731787
22.

Effect of the treatment with Euterpe oleracea Mart. oil in rats with Triton-induced dyslipidemia.

E Souza BSF, Carvalho HO, Ferreira IM, da Cunha EL, Barros AS, Taglialegna T, Carvalho JCT.

Biomed Pharmacother. 2017 Jun;90:542-547. doi: 10.1016/j.biopha.2017.04.005. Epub 2017 Apr 10.

PMID:
28402923
23.

Effects of bone morphogenetic protein 4 (BMP4) on in vitro development and survival of bovine preantral follicles enclosed in fragments ovarian tissue.

da Cunha EV, de Souza GB, Passos JRS, Silva AWB, Dau AM, Saraiva MVA, Lobo RNB, Silva JRV.

Zygote. 2017 Jun;25(3):256-264. doi: 10.1017/S0967199417000089. Epub 2017 Mar 16.

PMID:
28300526
24.

Toward the Classical Description of Halogen Bonds: A Quantum Based Generalized Empirical Potential for Fluorine, Chlorine, and Bromine.

Santos LA, da Cunha EF, Ramalho TC.

J Phys Chem A. 2017 Mar 30;121(12):2442-2451. doi: 10.1021/acs.jpca.6b13112. Epub 2017 Mar 21.

PMID:
28290699
25.

Bovine ovarian stem cells differentiate into germ cells and oocyte-like structures after culture in vitro.

de Souza GB, Costa J, da Cunha EV, Passos J, Ribeiro RP, Saraiva M, van den Hurk R, Silva J.

Reprod Domest Anim. 2017 Apr;52(2):243-250. doi: 10.1111/rda.12886. Epub 2016 Dec 7.

PMID:
27925309
26.

Mechanistic studies of new oximes reactivators of human butyryl cholinesterase inhibited by cyclosarin and sarin.

de Lima WE, Francisco A, da Cunha EF, Radic Z, Taylor P, França TC, Ramalho TC.

J Biomol Struct Dyn. 2017 May;35(6):1272-1282. doi: 10.1080/07391102.2016.1178173. Epub 2016 Jun 7.

PMID:
27125569
27.

Production of Bovine Embryos and Calves Cloned by Nuclear Transfer Using Mesenchymal Stem Cells from Amniotic Fluid and Adipose Tissue.

da Silva CG, Martins CF, Cardoso TC, da Cunha ER, Bessler HC, Martins GH, Pivato I, Báo SN.

Cell Reprogram. 2016 Apr;18(2):127-36. doi: 10.1089/cell.2015.0064.

PMID:
27055630
28.

Molecular Docking, Metal Substitution and Hydrolysis Reaction of Chiral Substrates of Phosphotriesterase.

de Castro AA, Caetano MS, Silva TC, Mancini DT, Rocha EP, da Cunha EF, Ramalho TC.

Comb Chem High Throughput Screen. 2016;19(4):334-44.

PMID:
27012528
29.

Isoflavone formononetin from red propolis acts as a fungicide against Candida sp.

das Neves MV, da Silva TM, Lima Ede O, da Cunha EV, Oliveira Ede J.

Braz J Microbiol. 2016 Jan-Mar;47(1):159-66. doi: 10.1016/j.bjm.2015.11.009. Epub 2016 Jan 27.

30.

Synthesis, antiproliferative activities, and computational evaluation of novel isocoumarin and 3,4-dihydroisocoumarin derivatives.

Guimarães KG, de Freitas RP, Ruiz AL, Fiorito GF, de Carvalho JE, da Cunha EF, Ramalho TC, Alves RB.

Eur J Med Chem. 2016 Mar 23;111:103-13. doi: 10.1016/j.ejmech.2016.01.051. Epub 2016 Jan 30.

PMID:
26859070
31.

QSAR Models Guided by Molecular Dynamics Applied to Human Glucokinase Activators.

de Assis TM, Gajo GC, de Assis LC, Garcia LS, Silva DR, Ramalho TC, da Cunha EF.

Chem Biol Drug Des. 2016 Mar;87(3):455-66. doi: 10.1111/cbdd.12683. Epub 2015 Dec 16.

PMID:
26547388
32.

Protein and messenger RNA expression of interleukin 1 system members in bovine ovarian follicles and effects of interleukin 1β on primordial follicle activation and survival in vitro.

Passos JR, Costa JJ, da Cunha EV, Silva AW, Ribeiro RP, de Souza GB, Barroso PA, Dau AM, Saraiva MV, Gonçalves PB, van den Hurk R, Silva JR.

Domest Anim Endocrinol. 2016 Jan;54:48-59. doi: 10.1016/j.domaniend.2015.09.002. Epub 2015 Oct 5.

PMID:
26513156
33.

Conformational Exploration of Enflurane in Solution and in a Biological Environment.

Andrade LA, Silla JM, Stephens SL, Marat K, da Cunha EF, Ramalho TC, van Wijngaarden J, Freitas MP.

J Phys Chem A. 2015 Oct 29;119(43):10735-42. doi: 10.1021/acs.jpca.5b08087. Epub 2015 Oct 19.

PMID:
26461140
34.

Influence of BMP-2 on early follicular development and mRNA expression of oocyte specific genes in bovine preantral follicles cultured in vitro.

Rossi RO, da Cunha EV, Portela AM, Passos JR, Costa JJ, Silva AW, Saraiva MV, Peixoto CA, Donato MA, van den Hurk R, Silva JR.

Histol Histopathol. 2016 Mar;31(3):339-48. doi: 10.14670/HH-11-674. Epub 2015 Oct 5.

PMID:
26435174
35.

QSAR analysis of nicotinamidic compounds and design of potential Bruton's tyrosine kinase (Btk) inhibitors.

Santos-Garcia L, Assis LC, Silva DR, Ramalho TC, da Cunha EF.

J Biomol Struct Dyn. 2016 Jul;34(7):1421-40. doi: 10.1080/07391102.2015.1070750. Epub 2016 May 11.

PMID:
26305710
36.

Combined experimental and theoretical study on the removal of pollutant compounds by peroxidases: affinity and reactivity toward a bioremediation catalyst.

Silva MC, Torres JA, Castro AA, da Cunha EF, Alves de Oliveira LC, Corrêa AD, Ramalho TC.

J Biomol Struct Dyn. 2016 Sep;34(9):1839-48. doi: 10.1080/07391102.2015.1063456. Epub 2016 Jun 3.

PMID:
26130457
37.

Alkaloids of the Annonaceae: occurrence and a compilation of their biological activities.

Lúcio AS, Almeida JR, Da-Cunha EV, Tavares JF, Barbosa Filho JM.

Alkaloids Chem Biol. 2015;74:233-409. Review.

PMID:
25845063
38.

Validation survey of the impact of urinary incontinence (IIQ-7) and inventory of distress urogenital (UDI-6) - the short scales - in patients with multiple sclerosis.

Stievano LP, Olival GS, Silva RA, Toller VB, Carabetta EG, da Cunha ET, Moreira Rde J, Eloi M, Tilbery CP.

Arq Neuropsiquiatr. 2015 Jan;73(1):46-51. doi: 10.1590/0004-282X20140218. Epub 2015 Jan 1.

39.

Molecular modeling and in vitro reactivation study between the oxime BI-6 and acetylcholinesterase inhibited by different nerve agents.

Giacoppo JO, C C França T, Kuča K, da Cunha EF, Abagyan R, Mancini DT, Ramalho TC.

J Biomol Struct Dyn. 2015 Sep;33(9):2048-58. doi: 10.1080/07391102.2014.989408. Epub 2014 Dec 18.

PMID:
25407587
40.

Application of 4D-QSAR studies to a series of benzothiophene analogs.

Caldas GB, Ramalho TC, da Cunha EF.

J Mol Model. 2014 Oct;20(10):2420. doi: 10.1007/s00894-014-2420-4. Epub 2014 Sep 16.

PMID:
25220333
41.

A massive galaxy in its core formation phase three billion years after the Big Bang.

Nelson E, van Dokkum P, Franx M, Brammer G, Momcheva I, Schreiber NF, da Cunha E, Tacconi L, Bezanson R, Kirkpatrick A, Leja J, Rix HW, Skelton R, van der Wel A, Whitaker K, Wuyts S.

Nature. 2014 Sep 18;513(7518):394-7. doi: 10.1038/nature13616. Epub 2014 Aug 27.

PMID:
25162527
42.

Effects of prolonged in vitro culture and cryopreservation on viability, DNA fragmentation, chromosome stability and ultrastructure of bovine cells from amniotic fluid and umbilical cord.

da Cunha ER, Martins CF, Silva CG, Bessler HC, Báo SN.

Reprod Domest Anim. 2014 Oct;49(5):806-12. doi: 10.1111/rda.12372. Epub 2014 Aug 12.

PMID:
25131149
43.

Synthesis and antiproliferative activity of 8-hydroxyquinoline derivatives containing a 1,2,3-triazole moiety.

Freitas LB, Borgati TF, de Freitas RP, Ruiz AL, Marchetti GM, de Carvalho JE, da Cunha EF, Ramalho TC, Alves RB.

Eur J Med Chem. 2014 Sep 12;84:595-604. doi: 10.1016/j.ejmech.2014.07.061. Epub 2014 Jul 19.

PMID:
25062010
44.

Molecular modeling toward selective inhibitors of dihydrofolate reductase from the biological warfare agent Bacillus anthracis.

Giacoppo JO, Mancini DT, Guimarães AP, Gonçalves AS, da Cunha EF, França TC, Ramalho TC.

Eur J Med Chem. 2015 Feb 16;91:63-71. doi: 10.1016/j.ejmech.2014.06.025. Epub 2014 Jun 18.

PMID:
24985033
45.

Hydrophobic noncovalent interactions of inosine-phenylalanine: a theoretical model for investigating the molecular recognition of nucleobases.

Santos LA, da Cunha EF, Freitas MP, Ramalho TC.

J Phys Chem A. 2014 Aug 7;118(31):5808-17. doi: 10.1021/jp411230w. Epub 2014 May 20.

PMID:
24814712
46.

Computational evidence for the reactivation process of human acetylcholinesterase inhibited by carbamates.

Matos KS, da Cunha EF, Abagyan R, Ramalho TC.

Comb Chem High Throughput Screen. 2014;17(6):554-64.

PMID:
24344993
47.

The ent-15α-Acetoxykaur-16-en-19-oic Acid Relaxes Rat Artery Mesenteric Superior via Endothelium-Dependent and Endothelium-Independent Mechanisms.

Ribeiro EA, Herculano Ede A, da Costa CD, Furtado FF, da-Cunha EV, Barbosa-Filho JM, da Silva MS, de Medeiros IA.

Evid Based Complement Alternat Med. 2012;2012:472821. doi: 10.1155/2012/472821. Epub 2012 Dec 27.

48.

Thermodynamic framework of hydrophobic/electrostatic interactions.

Ramalho TC, Santos LA, da Cunha EF.

J Biomol Struct Dyn. 2013;31(9):995-1000. doi: 10.1080/07391102.2012.748539. Epub 2013 Jan 9. No abstract available.

PMID:
23298191
49.

QSAR and docking studies of HCV NS3 serine protease inhibitors.

da Cunha EF, Matos KS, Ramalho TC.

Med Chem. 2013 Sep;9(6):774-805.

PMID:
23140577
50.

Construction and assessment of reaction models between F₁F₀-synthase and organotin compounds: molecular docking and quantum calculations.

Rocha MV, Ramalho TC, Caetano MS, da Cunha EF.

J Biomol Struct Dyn. 2013 Oct;31(10):1175-81. doi: 10.1080/07391102.2012.726533. Epub 2012 Oct 2.

PMID:
23030507

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