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Items: 1 to 50 of 266

1.

Hematopoietic Stem Cell Transplantation Without the Use of Blood Components by the Patient's Choice: Experience of 2 Brazilian Centers.

da Silva RL, da Silva LAM, Geraldo BLSS, Simões AA, Almeida MSS, Fernandes PA, Simões CM, Russo FT, Okada LY, Cavalcante JN, Lopes MAVF, Macedo RA, Macedo MCMA.

Biol Blood Marrow Transplant. 2019 Oct 25. pii: S1083-8791(19)30675-5. doi: 10.1016/j.bbmt.2019.10.018. [Epub ahead of print]

PMID:
31669397
2.

Conformational diversity induces nanosecond-timescale chemical disorder in the HIV-1 protease reaction pathway.

Calixto AR, Ramos MJ, Fernandes PA.

Chem Sci. 2019 Jun 11;10(30):7212-7221. doi: 10.1039/c9sc01464k. eCollection 2019 Aug 14.

3.

The Catalytic Mechanism of Human Transketolase.

Prejanò M, Medina FE, Fernandes PA, Russo N, Ramos MJ, Marino T.

Chemphyschem. 2019 Nov 5;20(21):2881-2886. doi: 10.1002/cphc.201900650. Epub 2019 Sep 11.

PMID:
31489766
4.

Anandamide targets aromatase: A breakthrough on human decidualization.

Almada M, Oliveira A, Amaral C, Fernandes PA, Ramos MJ, Fonseca B, Correia-da-Silva G, Teixeira N.

Biochim Biophys Acta Mol Cell Biol Lipids. 2019 Dec;1864(12):158512. doi: 10.1016/j.bbalip.2019.08.008. Epub 2019 Aug 24.

PMID:
31454668
5.

The dipeptidyl peptidase-4 inhibitory effect of flavonoids is hindered in protein rich environments.

Proença C, Freitas M, Ribeiro D, Tomé SM, Araújo AN, Silva AMS, Fernandes PA, Fernandes E.

Food Funct. 2019 Sep 1;10(9):5718-5731. doi: 10.1039/c9fo00722a. Epub 2019 Aug 23.

PMID:
31441917
6.

The hydrophobic polysaccharides of apple pomace.

Fernandes PAR, Silva AMS, Evtuguin DV, Nunes FM, Wessel DF, Cardoso SM, Coimbra MA.

Carbohydr Polym. 2019 Nov 1;223:115132. doi: 10.1016/j.carbpol.2019.115132. Epub 2019 Jul 26.

PMID:
31426977
7.

STAT1-NFκB crosstalk triggered by interferon gamma regulates noradrenaline-induced pineal hormonal production.

Barbosa Lima LE, Muxel SM, Kinker GS, Carvalho-Sousa CE, da Silveira Cruz-Machado S, Markus RP, Fernandes PACM.

J Pineal Res. 2019 Oct;67(3):e12599. doi: 10.1111/jpi.12599. Epub 2019 Sep 1.

PMID:
31356684
8.

Prevalence and incidence of surgical site infections in the European Union/European Economic Area: how do these measures relate?

Meijs AP, Prantner I, Kärki T, Ferreira JA, Kinross P, Presterl E, Märtin P, Lyytikäinen O, Hansen S, Szőnyi A, Ricchizzi E, Valinteliėnė R, Zerafa S, de Greeff SC, Berg TC, Fernandes PA, Štefkovičová M, Asensio A, Lamagni T, Sartaj M, Reilly J, Harrison W, Suetens C, Koek MBG.

J Hosp Infect. 2019 Dec;103(4):404-411. doi: 10.1016/j.jhin.2019.06.015. Epub 2019 Jun 29.

PMID:
31265856
9.

Apple Pomace Extract as a Sustainable Food Ingredient.

Fernandes PAR, Ferreira SS, Bastos R, Ferreira I, Cruz MT, Pinto A, Coelho E, Passos CP, Coimbra MA, Cardoso SM, Wessel DF.

Antioxidants (Basel). 2019 Jun 21;8(6). pii: E189. doi: 10.3390/antiox8060189.

10.

Benchmark of Density Functionals for the Calculation of the Redox Potential of Fe3+/Fe2+ Within Protein Coordination Shells.

Listyarini RV, Gesto DS, Paiva P, Ramos MJ, Fernandes PA.

Front Chem. 2019 Jun 5;7:391. doi: 10.3389/fchem.2019.00391. eCollection 2019.

11.

Enabling Mitochondrial Uptake of Lipophilic Dications Using Methylated Triphenylphosphonium Moieties.

Ong HC, Hu Z, Coimbra JTS, Ramos MJ, Kon OL, Xing B, Yeow EKL, Fernandes PA, García F.

Inorg Chem. 2019 Jul 1;58(13):8293-8299. doi: 10.1021/acs.inorgchem.8b03380. Epub 2019 Jun 11.

PMID:
31184865
12.

New insights about the monomer and homodimer structures of the human AOX1.

Ferreira P, Cerqueira NMFSA, Coelho C, Fernandes PA, Romão MJ, Ramos MJ.

Phys Chem Chem Phys. 2019 Jul 7;21(25):13545-13554. doi: 10.1039/c9cp01040h. Epub 2019 Jun 7.

PMID:
31172995
13.

A computational study on the redox properties and binding affinities of iron complexes of hydroxypyridinones.

Coimbra JTS, Brás NF, Fernandes PA, Rangel M, Ramos MJ.

J Mol Model. 2019 May 25;25(6):172. doi: 10.1007/s00894-019-4037-0.

PMID:
31129727
14.

Revisiting the chemistry of apple pomace polyphenols.

Fernandes PAR, Le Bourvellec C, Renard CMGC, Nunes FM, Bastos R, Coelho E, Wessel DF, Coimbra MA, Cardoso SM.

Food Chem. 2019 Oct 1;294:9-18. doi: 10.1016/j.foodchem.2019.05.006. Epub 2019 May 2.

PMID:
31126510
15.

PIP4K2A and PIP4K2C transcript levels are associated with cytogenetic risk and survival outcomes in acute myeloid leukemia.

Lima K, Coelho-Silva JL, Kinker GS, Pereira-Martins DA, Traina F, Fernandes PACM, Markus RP, Lucena-Araujo AR, Machado-Neto JA.

Cancer Genet. 2019 Apr;233-234:56-66. doi: 10.1016/j.cancergen.2019.04.002. Epub 2019 Apr 11.

PMID:
31109595
16.

Evaluation of a flavonoids library for inhibition of pancreatic α-amylase towards a structure-activity relationship.

Proença C, Freitas M, Ribeiro D, Tomé SM, Oliveira EFT, Viegas MF, Araújo AN, Ramos MJ, Silva AMS, Fernandes PA, Fernandes E.

J Enzyme Inhib Med Chem. 2019 Dec;34(1):577-588. doi: 10.1080/14756366.2018.1558221.

17.

Hyperbaric storage at variable room temperature - a new preservation methodology for minced meat compared to refrigeration.

Fernandes PA, Moreira SA, Santos MD, Duarte RV, Santos DI, Inácio RS, Alves SP, Bessa RJ, Delgadillo I, Saraiva JA.

J Sci Food Agric. 2019 May;99(7):3276-3282. doi: 10.1002/jsfa.9540. Epub 2019 Feb 4.

PMID:
30552771
18.

Interplay among steroids, body condition and immunity in response to long-term captivity in toads.

Titon SCM, Titon Junior B, Assis VR, Kinker GS, Fernandes PACM, Gomes FR.

Sci Rep. 2018 Nov 21;8(1):17168. doi: 10.1038/s41598-018-35495-0.

19.

Structure, Dynamics, and Energetics of ATP Hydrolysis by ABC Transporters.

Ramos MJ, Fernandes PA.

ACS Cent Sci. 2018 Oct 24;4(10):1300-1302. doi: 10.1021/acscentsci.8b00631. Epub 2018 Oct 5. No abstract available.

20.

Structural and mechanistic aspects of S-S bonds in the thioredoxin-like family of proteins.

Sousa SF, Neves RPP, Waheed SO, Fernandes PA, Ramos MJ.

Biol Chem. 2019 Apr 24;400(5):575-587. doi: 10.1515/hsz-2018-0319. Review.

PMID:
30367780
21.

Understanding Conformational Dynamics of Complex Lipid Mixtures Relevant to Biology.

Friedman R, Khalid S, Aponte-Santamaría C, Arutyunova E, Becker M, Boyd KJ, Christensen M, Coimbra JTS, Concilio S, Daday C, van Eerden FJ, Fernandes PA, Gräter F, Hakobyan D, Heuer A, Karathanou K, Keller F, Lemieux MJ, Marrink SJ, May ER, Mazumdar A, Naftalin R, Pickholz M, Piotto S, Pohl P, Quinn P, Ramos MJ, Schiøtt B, Sengupta D, Sessa L, Vanni S, Zeppelin T, Zoni V, Bondar AN, Domene C.

J Membr Biol. 2018 Dec;251(5-6):609-631. doi: 10.1007/s00232-018-0050-y. Epub 2018 Oct 22. Review.

22.

Night work effects on salivary cytokines TNF, IL-1β and IL-6.

Reinhardt ÉL, Fernandes PACM, Markus RP, Fischer FM.

Chronobiol Int. 2019 Jan;36(1):11-26. doi: 10.1080/07420528.2018.1515771. Epub 2018 Sep 19.

PMID:
30230913
23.

Properties that rank protein:protein docking poses with high accuracy.

Simões ICM, Coimbra JTS, Neves RPP, Costa IPD, Ramos MJ, Fernandes PA.

Phys Chem Chem Phys. 2018 Aug 15;20(32):20927-20942. doi: 10.1039/c8cp03888k.

PMID:
30067268
24.

β-Adrenoceptors Trigger Melatonin Synthesis in Phagocytes.

Pires-Lapa MA, Carvalho-Sousa CE, Cecon E, Fernandes PA, Markus RP.

Int J Mol Sci. 2018 Jul 26;19(8). pii: E2182. doi: 10.3390/ijms19082182.

25.

Expression of the Circadian Clock Gene BMAL1 Positively Correlates With Antitumor Immunity and Patient Survival in Metastatic Melanoma.

de Assis LVM, Kinker GS, Moraes MN, Markus RP, Fernandes PA, Castrucci AML.

Front Oncol. 2018 Jun 12;8:185. doi: 10.3389/fonc.2018.00185. eCollection 2018.

26.

Understanding the Rate-Limiting Step of Glycogenolysis by Using QM/MM Calculations on Human Glycogen Phosphorylase.

Brás NF, Fernandes PA, Ramos MJ.

ChemMedChem. 2018 Aug 10;13(15):1608-1616. doi: 10.1002/cmdc.201800218. Epub 2018 Jul 10.

PMID:
29905983
27.

Determining the glycation site specificity of human holo-transferrin.

Silva AMN, Coimbra JTS, Castro MM, Oliveira Â, Brás NF, Fernandes PA, Ramos MJ, Rangel M.

J Inorg Biochem. 2018 Sep;186:95-102. doi: 10.1016/j.jinorgbio.2018.05.016. Epub 2018 May 26.

PMID:
29860209
28.

Behavioral fever decreases metabolic response to lipopolysaccharide in yellow Cururu toads (Rhinella icterica).

Moretti EH, Ortega Chinchilla JE, Marques FS, Fernandes PACM, Gomes FR.

Physiol Behav. 2018 Jul 1;191:73-81. doi: 10.1016/j.physbeh.2018.04.008. Epub 2018 Apr 9.

29.

Parametrization of Molybdenum Cofactors for the AMBER Force Field.

Ferreira P, Cerqueira NMFSA, Brás NF, Fernandes PA, Ramos MJ.

J Chem Theory Comput. 2018 May 8;14(5):2538-2548. doi: 10.1021/acs.jctc.8b00137. Epub 2018 Apr 16.

PMID:
29630831
30.

A QM/MM approach on the structural and stereoelectronic factors governing glycosylation by GTF-SI from Streptococcus mutans.

Jaña GA, Mendoza F, Osorio MI, Alderete JB, Fernandes PA, Ramos MJ, Jiménez VA.

Org Biomol Chem. 2018 Apr 4;16(14):2438-2447. doi: 10.1039/C8OB00284C.

PMID:
29557467
31.

Mechanistic Pathway on Human α-Glucosidase Maltase-Glucoamylase Unveiled by QM/MM Calculations.

Brás NF, Santos-Martins D, Fernandes PA, Ramos MJ.

J Phys Chem B. 2018 Apr 12;122(14):3889-3899. doi: 10.1021/acs.jpcb.8b01321. Epub 2018 Mar 28.

PMID:
29548257
32.

A novel synthetic peptide inspired on Lys49 phospholipase A2 from Crotalus oreganus abyssus snake venom active against multidrug-resistant clinical isolates.

Almeida JR, Mendes B, Lancellotti M, Marangoni S, Vale N, Passos Ó, Ramos MJ, Fernandes PA, Gomes P, Da Silva SL.

Eur J Med Chem. 2018 Apr 10;149:248-256. doi: 10.1016/j.ejmech.2018.02.055. Epub 2018 Feb 21.

PMID:
29501945
33.

Captivity effects on immune response and steroid plasma levels of a Brazilian toad (Rhinella schneideri).

Titon SCM, Assis VR, Titon Junior B, Cassettari BO, Fernandes PACM, Gomes FR.

J Exp Zool A Ecol Integr Physiol. 2017 Feb;327(2-3):127-138. doi: 10.1002/jez.2078. Epub 2017 Jun 28.

PMID:
29356402
34.

The plasma environment inside geostationary orbit: A Van Allen Probes HOPE survey.

Fernandes PA, Larsen BA, Thomsen MF, Skoug RM, Reeves GD, Denton MH, Friedel RHW, Funsten HO, Goldstein J, Henderson MG, Jahn JM, MacDonald EA, Olson DK.

J Geophys Res Space Phys. 2017 Sep;122(9):9207-9227. doi: 10.1002/2017JA024160. Epub 2017 Sep 4.

35.

Sundown syndrome and symptoms of anxiety and depression in hospitalized elderly.

Silva MWB, Sousa-Muñoz RL, Frade HC, Fernandes PA, Magalhães AO.

Dement Neuropsychol. 2017 Apr-Jun;11(2):154-161. doi: 10.1590/1980-57642016dn11-020008.

36.

Modeling of Human Fatty Acid Synthase and in Silico Docking of Acyl Carrier Protein Domain and Its Partner Catalytic Domains.

Viegas MF, Neves RPP, Ramos MJ, Fernandes PA.

J Phys Chem B. 2018 Jan 11;122(1):77-85. doi: 10.1021/acs.jpcb.7b09645. Epub 2018 Jan 2.

PMID:
29210581
37.

Inhibition of protein tyrosine phosphatase 1B by flavonoids: A structure - activity relationship study.

Proença C, Freitas M, Ribeiro D, Sousa JLC, Carvalho F, Silva AMS, Fernandes PA, Fernandes E.

Food Chem Toxicol. 2018 Jan;111:474-481. doi: 10.1016/j.fct.2017.11.039. Epub 2017 Nov 22.

PMID:
29175190
38.

Interaction of wine mannoproteins and arabinogalactans with anthocyanins.

Gonçalves FJ, Fernandes PAR, Wessel DF, Cardoso SM, Rocha SM, Coimbra MA.

Food Chem. 2018 Mar 15;243:1-10. doi: 10.1016/j.foodchem.2017.09.097. Epub 2017 Sep 20.

PMID:
29146314
39.

Mechanistic Insights on Human Phosphoglucomutase Revealed by Transition Path Sampling and Molecular Dynamics Calculations.

Brás NF, Fernandes PA, Ramos MJ, Schwartz SD.

Chemistry. 2018 Feb 6;24(8):1978-1987. doi: 10.1002/chem.201705090. Epub 2018 Jan 4.

40.

Immune-pineal axis - acute inflammatory responses coordinate melatonin synthesis by pinealocytes and phagocytes.

Markus RP, Fernandes PA, Kinker GS, da Silveira Cruz-Machado S, Marçola M.

Br J Pharmacol. 2018 Aug;175(16):3239-3250. doi: 10.1111/bph.14083. Epub 2017 Dec 15. Review.

41.

Protocol for Computational Enzymatic Reactivity Based on Geometry Optimisation.

Cerqueira NMFSA, Fernandes PA, Ramos MJ.

Chemphyschem. 2018 Mar 19;19(6):669-689. doi: 10.1002/cphc.201700339. Epub 2018 Jan 30. Review.

PMID:
29044952
42.

Molecular motion regulates the activity of the Mitochondrial Serine Protease HtrA2.

Merski M, Moreira C, Abreu RM, Ramos MJ, Fernandes PA, Martins LM, Pereira PJB, Macedo-Ribeiro S.

Cell Death Dis. 2017 Oct 12;8(10):e3119. doi: 10.1038/cddis.2017.487.

43.

Influence of Frozen Residues on the Exploration of the PES of Enzyme Reaction Mechanisms.

Calixto AR, Ramos MJ, Fernandes PA.

J Chem Theory Comput. 2017 Nov 14;13(11):5486-5495. doi: 10.1021/acs.jctc.7b00768. Epub 2017 Oct 25.

PMID:
28992703
44.

Improving the Catalytic Power of the DszD Enzyme for the Biodesulfurization of Crude Oil and Derivatives.

Ferreira P, Sousa SF, Fernandes PA, Ramos MJ.

Chemistry. 2017 Dec 6;23(68):17231-17241. doi: 10.1002/chem.201704057. Epub 2017 Nov 22.

PMID:
28976031
45.

α-Glucosidase inhibition by flavonoids: an in vitro and in silico structure-activity relationship study.

Proença C, Freitas M, Ribeiro D, Oliveira EFT, Sousa JLC, Tomé SM, Ramos MJ, Silva AMS, Fernandes PA, Fernandes E.

J Enzyme Inhib Med Chem. 2017 Dec;32(1):1216-1228. doi: 10.1080/14756366.2017.1368503.

46.

Visualizing the Microscopic World.

Cerqueira NMFSA, Fernandes PA, Ramos MJ.

Interdiscip Sci. 2018 Mar;10(1):105-110. doi: 10.1007/s12539-017-0255-2. Epub 2017 Aug 9.

PMID:
28791579
47.

Clarifying the Catalytic Mechanism of Human Glutamine Synthetase: A QM/MM Study.

Moreira C, Ramos MJ, Fernandes PA.

J Phys Chem B. 2017 Jul 6;121(26):6313-6320. doi: 10.1021/acs.jpcb.7b02543. Epub 2017 Jun 22.

PMID:
28587465
48.

Mechanistic insights on the reduction of glutathione disulfide by protein disulfide isomerase.

Neves RPP, Fernandes PA, Ramos MJ.

Proc Natl Acad Sci U S A. 2017 Jun 13;114(24):E4724-E4733. doi: 10.1073/pnas.1618985114. Epub 2017 May 30.

49.

Daily corticosterone rhythm modulates pineal function through NFκB-related gene transcriptional program.

da Silveira Cruz-Machado S, Tamura EK, Carvalho-Sousa CE, Rocha VA, Pinato L, Fernandes PAC, Markus RP.

Sci Rep. 2017 May 18;7(1):2091. doi: 10.1038/s41598-017-02286-y.

50.

The mechanism of the Ser-(cis)Ser-Lys catalytic triad of peptide amidases.

Cerqueira NMFSA, Moorthy H, Fernandes PA, Ramos MJ.

Phys Chem Chem Phys. 2017 May 21;19(19):12343-12354. doi: 10.1039/c7cp00277g. Epub 2017 Apr 28.

PMID:
28453015

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