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Items: 1 to 50 of 316

1.

Pyridinylimidazoles as GSK3β Inhibitors: The Impact of Tautomerism on Compound Activity via Water Networks.

Heider F, Pantsar T, Kudolo M, Ansideri F, De Simone A, Pruccoli L, Schneider T, Goettert MI, Tarozzi A, Andrisano V, Laufer SA, Koch P.

ACS Med Chem Lett. 2019 Aug 26;10(10):1407-1414. doi: 10.1021/acsmedchemlett.9b00177. eCollection 2019 Oct 10.

PMID:
31620226
2.

Advanced analytical methodologies in Alzheimer's disease drug discovery.

De Simone A, Naldi M, Tedesco D, Bartolini M, Davani L, Andrisano V.

J Pharm Biomed Anal. 2019 Sep 29;178:112899. doi: 10.1016/j.jpba.2019.112899. [Epub ahead of print] Review.

PMID:
31606562
3.

Probing the dynamic stalk region of the ribosome using solution NMR.

Wang X, Kirkpatrick JP, Launay HMM, de Simone A, Häussinger D, Dobson CM, Vendruscolo M, Cabrita LD, Waudby CA, Christodoulou J.

Sci Rep. 2019 Sep 19;9(1):13528. doi: 10.1038/s41598-019-49190-1.

4.

Correction to "Discovery of the First-in-Class GSK-3β/HDAC Dual Inhibitor as Disease-Modifying Agent To Combat Alzheimer's Disease".

De Simone A, La Pietra V, Betari N, Petragnani N, Conte M, Daniele S, Pietrobono D, Martini C, Petralla S, Casadei R, Davani L, Frabetti F, Russomanno P, Novellino E, Montanari S, Tumiatti V, Ballerini P, Sarno F, Nebbioso A, Altucci L, Monti B, Andrisano V, Milelli A.

ACS Med Chem Lett. 2019 Aug 6;10(9):1357. doi: 10.1021/acsmedchemlett.9b00316. eCollection 2019 Sep 12.

5.

Investigating in Vitro Amyloid Peptide 1-42 Aggregation: Impact of Higher Molecular Weight Stable Adducts.

De Simone A, Naldi M, Tedesco D, Milelli A, Bartolini M, Davani L, Widera D, Dallas ML, Andrisano V.

ACS Omega. 2019 Jul 18;4(7):12308-12318. doi: 10.1021/acsomega.9b01531. eCollection 2019 Jul 31.

6.

Feasibility of tracking multiple implanted magnets with a myokinetic control interface: simulation and experimental evidence based on the point dipole model.

Tarantino S, Clemente F, De Simone A, Cipriani C.

IEEE Trans Biomed Eng. 2019 Aug 14. doi: 10.1109/TBME.2019.2935229. [Epub ahead of print]

PMID:
31425017
7.

A neutrally stable shell in a Stokes flow: a rotational Taylor's sheet.

Orsi G, De Simone A, Maurini C, Vidoli S.

Proc Math Phys Eng Sci. 2019 Jul;475(2227):20190178. doi: 10.1098/rspa.2019.0178. Epub 2019 Jul 31.

8.

Biochemical and biophysical comparison of human and mouse beta-2 microglobulin reveals the molecular determinants of low amyloid propensity.

Achour A, Broggini L, Han X, Sun R, Santambrogio C, Buratto J, Visentin C, Barbiroli A, De Luca CMG, Sormanni P, Moda F, De Simone A, Sandalova T, Grandori R, Camilloni C, Ricagno S.

FEBS J. 2019 Aug 17. doi: 10.1111/febs.15046. [Epub ahead of print]

PMID:
31420997
9.

A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors.

Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.

Eur J Med Chem. 2019 Oct 15;180:613-626. doi: 10.1016/j.ejmech.2019.07.051. Epub 2019 Jul 17.

PMID:
31351393
10.

The VALID-CRT risk score reliably predicts response and outcome of cardiac resynchronization therapy in a real-world population.

Bertaglia E, Arena G, Pecora D, Reggiani A, D'Onofrio A, Palmisano P, De Simone A, Caico SI, Marini M, Maglia G, Ferraro A, Solimene F, Cecchetto A, Malacrida M, Botto GL, Lunati M, Stabile G.

Clin Cardiol. 2019 Oct;42(10):919-924. doi: 10.1002/clc.23229. Epub 2019 Jul 13.

11.

Amaryllidaceae alkaloids from Narcissus pseudonarcissus L. cv. Dutch Master as potential drugs in treatment of Alzheimer's disease.

Hulcová D, Maříková J, Korábečný J, Hošťálková A, Jun D, Kuneš J, Chlebek J, Opletal L, De Simone A, Nováková L, Andrisano V, Růžička A, Cahlíková L.

Phytochemistry. 2019 Sep;165:112055. doi: 10.1016/j.phytochem.2019.112055. Epub 2019 Jun 28.

PMID:
31261031
12.

Chemical and Metabolic Controls on Dihydroxyacetone Metabolism Lead to Suboptimal Growth of Escherichia coli.

Peiro C, Millard P, de Simone A, Cahoreau E, Peyriga L, Enjalbert B, Heux S.

Appl Environ Microbiol. 2019 Jul 18;85(15). pii: e00768-19. doi: 10.1128/AEM.00768-19. Print 2019 Aug 1.

13.

The Toxicity of Misfolded Protein Oligomers Is Independent of Their Secondary Structure.

Vivoli Vega M, Cascella R, Chen SW, Fusco G, De Simone A, Dobson CM, Cecchi C, Chiti F.

ACS Chem Biol. 2019 Jul 19;14(7):1593-1600. doi: 10.1021/acschembio.9b00324. Epub 2019 Jul 5.

PMID:
31074957
14.

Probing the Origin of the Toxicity of Oligomeric Aggregates of α-Synuclein with Antibodies.

Cascella R, Perni M, Chen SW, Fusco G, Cecchi C, Vendruscolo M, Chiti F, Dobson CM, De Simone A.

ACS Chem Biol. 2019 Jun 21;14(6):1352-1362. doi: 10.1021/acschembio.9b00312. Epub 2019 May 14.

PMID:
31050886
15.

Reproducibility of acute pulmonary vein isolation guided by the ablation index.

Solimene F, Lepillier A, De Ruvo E, Scaglione M, Anselmino M, Sebag FA, Pecora D, Gallagher MM, Rillo M, Viola G, Rossi L, De Santis V, Landolina M, Castro A, Grimaldi M, Badenco N, Del Greco M, De Simone A, Bertaglia E, Stabile G.

Pacing Clin Electrophysiol. 2019 Jul;42(7):874-881. doi: 10.1111/pace.13710. Epub 2019 May 21.

PMID:
31045257
16.

Discovery of the First-in-Class GSK-3β/HDAC Dual Inhibitor as Disease-Modifying Agent To Combat Alzheimer's Disease.

De Simone A, La Pietra V, Betari N, Petragnani N, Conte M, Daniele S, Pietrobono D, Martini C, Petralla S, Casadei R, Davani L, Frabetti F, Russomanno P, Novellino E, Montanari S, Tumiatti V, Ballerini P, Sarno F, Nebbioso A, Altucci L, Monti B, Andrisano V, Milelli A.

ACS Med Chem Lett. 2019 Feb 4;10(4):469-474. doi: 10.1021/acsmedchemlett.8b00507. eCollection 2019 Apr 11. Erratum in: ACS Med Chem Lett. 2019 Aug 06;10(9):1357.

PMID:
30996781
17.

Derivatives of the β-Crinane Amaryllidaceae Alkaloid Haemanthamine as Multi-Target Directed Ligands for Alzheimer's Disease.

Kohelová E, Peřinová R, Maafi N, Korábečný J, Hulcová D, Maříková J, Kučera T, Martínez González L, Hrabinova M, Vorčáková K, Nováková L, De Simone A, Havelek R, Cahlíková L.

Molecules. 2019 Apr 3;24(7). pii: E1307. doi: 10.3390/molecules24071307.

18.

Self-Organized Nuclear Positioning Synchronizes the Cell Cycle in Drosophila Embryos.

Deneke VE, Puliafito A, Krueger D, Narla AV, De Simone A, Primo L, Vergassola M, De Renzis S, Di Talia S.

Cell. 2019 May 2;177(4):925-941.e17. doi: 10.1016/j.cell.2019.03.007. Epub 2019 Apr 11.

PMID:
30982601
19.

Histone Deacetylase Inhibitors as Multitarget Ligands: New Players in Alzheimer's Disease Drug Discovery?

De Simone A, Milelli A.

ChemMedChem. 2019 Jun 5;14(11):1067-1073. doi: 10.1002/cmdc.201900174. Epub 2019 May 2. Review.

PMID:
30958639
20.

A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors.

De Simone A, Georgiou C, Ioannidis H, Gupta AA, Juárez-Jiménez J, Doughty-Shenton D, Blackburn EA, Wear MA, Richards JP, Barlow PN, Carragher N, Walkinshaw MD, Hulme AN, Michel J.

Chem Sci. 2018 Oct 23;10(2):542-547. doi: 10.1039/c8sc03831g. eCollection 2019 Jan 14.

21.

In Toto Imaging of Dynamic Osteoblast Behaviors in Regenerating Skeletal Bone.

Cox BD, De Simone A, Tornini VA, Singh SP, Di Talia S, Poss KD.

Curr Biol. 2018 Dec 17;28(24):3937-3947.e4. doi: 10.1016/j.cub.2018.10.052. Epub 2018 Nov 29.

PMID:
30503623
22.

Development and validation of the McGill body image concerns scale for use in head and neck oncology (MBIS-HNC): A mixed-methods approach.

Rodriguez AM, Frenkiel S, Desroches J, De Simone A, Chiocchio F, MacDonald C, Black M, Zeitouni A, Hier M, Kost K, Mlynarek A, Bolster-Foucault C, Rosberger Z, Henry M.

Psychooncology. 2019 Jan;28(1):116-121. doi: 10.1002/pon.4918. Epub 2018 Nov 12.

PMID:
30312500
23.

Cavitation energies can outperform dispersion interactions.

He S, Biedermann F, Vankova N, Zhechkov L, Heine T, Hoffman RE, De Simone A, Duignan TT, Nau WM.

Nat Chem. 2018 Dec;10(12):1252-1257. doi: 10.1038/s41557-018-0146-0. Epub 2018 Oct 8.

24.

The stricter criteria for Class I CRT indication suggested by the 2016 ESC Guidelines reliably exclude patients with a worse prognosis in comparison with the 2013 ESC indication criteria.

Bertaglia E, Reggiani A, Palmisano P, D'Onofrio A, De Simone A, Caico SI, Pecora D, Arena G, Marini M, Ricciardi G, Badolati S, Spotti A, Solimene F, Ferraro A, Migliore F, Botto GL, Malacrida M, Stabile G.

Int J Cardiol. 2018 Dec 15;273:162-167. doi: 10.1016/j.ijcard.2018.09.027. Epub 2018 Sep 8.

PMID:
30217421
25.

A Carboxylate to Amide Substitution That Switches Protein Folds.

Gianni S, McCully ME, Malagrinò F, Bonetti D, De Simone A, Brunori M, Daggett V.

Angew Chem Int Ed Engl. 2018 Sep 24;57(39):12795-12798. doi: 10.1002/anie.201807723. Epub 2018 Aug 28.

PMID:
30098087
26.

Safety and efficacy of atrial fibrillation ablation guided by Ablation Index module.

Solimene F, Schillaci V, Shopova G, Urraro F, Arestia A, Iuliano A, Maresca F, Agresta A, La Rocca V, De Simone A, Stabile G.

J Interv Card Electrophysiol. 2019 Jan;54(1):9-15. doi: 10.1007/s10840-018-0420-5. Epub 2018 Jul 30.

PMID:
30058055
27.

Structural differences between toxic and nontoxic HypF-N oligomers.

Capitini C, Patel JR, Natalello A, D'Andrea C, Relini A, Jarvis JA, Birolo L, Peduzzo A, Vendruscolo M, Matteini P, Dobson CM, De Simone A, Chiti F.

Chem Commun (Camb). 2018 Aug 11;54(62):8637-8640. doi: 10.1039/c8cc03446j. Epub 2018 Jul 18.

PMID:
30020284
28.

Local structural motifs in proteins: Detection and characterization of fragments inserted in helices.

Balasco N, Smaldone G, Ruggiero A, De Simone A, Vitagliano L.

Int J Biol Macromol. 2018 Oct 15;118(Pt B):1924-1930. doi: 10.1016/j.ijbiomac.2018.07.047. Epub 2018 Jul 12.

PMID:
30017977
29.

Correction: PI(4,5)P2 forms dynamic cortical structures and directs actin distribution as well as polarity in Caenorhabditis elegans embryos (doi: 10.1242/dev.164988).

Scholze MJ, Barbieux KS, De Simone A, Boumasmoud M, Süess CCN, Wang R, Gönczy P.

Development. 2018 Jul 3;145(13). pii: dev169144. doi: 10.1242/dev.169144. No abstract available.

30.

High-density mapping to guide ablation of a right bundle branch morphology premature ventricular contraction from the right outflow tract.

De Simone A, La Rocca V, Panella A, Bianchi V, Maddaluno F, Stabile G, Garcia Bolao I.

Clin Case Rep. 2018 Apr 16;6(6):1060-1065. doi: 10.1002/ccr3.1370. eCollection 2018 Jun.

31.

Backbone NMR assignments of HypF-N under conditions generating toxic and non-toxic oligomers.

Patel JR, Xu Y, Capitini C, Chiti F, De Simone A.

Biomol NMR Assign. 2018 Oct;12(2):273-277. doi: 10.1007/s12104-018-9822-7. Epub 2018 May 21.

32.

Intrinsic structural versatility of the highly conserved 412-423 epitope of the Hepatitis C Virus E2 protein.

Balasco N, Barone D, Iaccarino E, Sandomenico A, De Simone A, Ruvo M, Vitagliano L.

Int J Biol Macromol. 2018 Sep;116:620-632. doi: 10.1016/j.ijbiomac.2018.05.055. Epub 2018 May 11.

PMID:
29758309
33.

A patent review of butyrylcholinesterase inhibitors and reactivators 2010-2017.

Andrisano V, Naldi M, De Simone A, Bartolini M.

Expert Opin Ther Pat. 2018 Jun;28(6):455-465. doi: 10.1080/13543776.2018.1476494. Review.

PMID:
29757691
34.

Structural Basis for Natural Product Selection and Export by Bacterial ABC Transporters.

Romano M, Fusco G, Choudhury HG, Mehmood S, Robinson CV, Zirah S, Hegemann JD, Lescop E, Marahiel MA, Rebuffat S, De Simone A, Beis K.

ACS Chem Biol. 2018 Jun 15;13(6):1598-1609. doi: 10.1021/acschembio.8b00226. Epub 2018 May 18.

35.

PI(4,5)P2 forms dynamic cortical structures and directs actin distribution as well as polarity in Caenorhabditis elegans embryos.

Scholze MJ, Barbieux KS, De Simone A, Boumasmoud M, Süess CCN, Wang R, Gönczy P.

Development. 2018 May 30;145(11). pii: dev164988. doi: 10.1242/dev.164988. Erratum in: Development. 2018 Jul 3;145(13):.

36.

Adherence to 2016 European Society of Cardiology guidelines predicts outcome in a large real-world population of heart failure patients requiring cardiac resynchronization therapy.

Stabile G, Pepi P, Palmisano P, D'Onofrio A, De Simone A, Caico SI, Pecora D, Rapacciuolo A, Arena G, Marini M, Pieragnoli P, Badolati S, Savarese G, Maglia G, Iuliano A, Botto GL, Malacrida M, Bertaglia E.

Heart Rhythm. 2018 Nov;15(11):1675-1682. doi: 10.1016/j.hrthm.2018.04.011. Epub 2018 Apr 14.

PMID:
29665405
37.

Molecular determinants of the interaction of EGCG with ordered and disordered proteins.

Fusco G, Sanz-Hernandez M, Ruggeri FS, Vendruscolo M, Dobson CM, De Simone A.

Biopolymers. 2018 Aug;109(10):e23117. doi: 10.1002/bip.23117. Epub 2018 Mar 30.

PMID:
29603125
38.

Amaryllidaceae Alkaloids as Potential Glycogen Synthase Kinase-3β Inhibitors.

Hulcová D, Breiterová K, Siatka T, Klímová K, Davani L, Šafratová M, Hošťálková A, De Simone A, Andrisano V, Cahlíková L.

Molecules. 2018 Mar 21;23(4). pii: E719. doi: 10.3390/molecules23040719.

39.

Uncovering the balance of forces driving microtubule aster migration in C. elegans zygotes.

De Simone A, Spahr A, Busso C, Gönczy P.

Nat Commun. 2018 Mar 5;9(1):938. doi: 10.1038/s41467-018-03118-x.

40.

Development and validation of an LC-ESI-MS/MS method for the quantification of D-84, reboxetine and citalopram for their use in MS Binding Assays addressing the monoamine transporters hDAT, hSERT and hNET.

Neiens P, De Simone A, Ramershoven A, Höfner G, Allmendinger L, Wanner KT.

Biomed Chromatogr. 2018 Jul;32(7):e4231. doi: 10.1002/bmc.4231. Epub 2018 Apr 10.

PMID:
29500932
41.

The Role of Chromatography in Alzheimer's Disease Drug Discovery.

Fiori J, De Simone A, Naldi M, Andrisano V.

Adv Chromatogr. 2017;53:75-107. Review. No abstract available.

PMID:
29461692
42.

C-terminal calcium binding of α-synuclein modulates synaptic vesicle interaction.

Lautenschläger J, Stephens AD, Fusco G, Ströhl F, Curry N, Zacharopoulou M, Michel CH, Laine R, Nespovitaya N, Fantham M, Pinotsi D, Zago W, Fraser P, Tandon A, St George-Hyslop P, Rees E, Phillips JJ, De Simone A, Kaminski CF, Schierle GSK.

Nat Commun. 2018 Feb 19;9(1):712. doi: 10.1038/s41467-018-03111-4.

43.

Simultaneous Multiple MS Binding Assays for the Dopamine, Norepinephrine, and Serotonin Transporters.

Neiens P, De Simone A, Höfner G, Wanner KT.

ChemMedChem. 2018 Mar 6;13(5):453-463. doi: 10.1002/cmdc.201700737. Epub 2018 Feb 16.

PMID:
29451362
44.

Management of diplopia.

Iliescu DA, Timaru CM, Alexe N, Gosav E, De Simone A, Batras M, Stefan C.

Rom J Ophthalmol. 2017 Jul-Sep;61(3):166-170. Review.

45.

Matrix regenerative therapy.

Timaru CM, Stefan C, Iliescu DA, De Simone A, Batras M.

Rom J Ophthalmol. 2017 Jan-Mar;61(1):2-10. Review.

46.

Designing Dual Transglutaminase 2/Histone Deacetylase Inhibitors Effective at Halting Neuronal Death.

Basso M, Chen HH, Tripathy D, Conte M, Apperley KYP, De Simone A, Keillor JW, Ratan R, Nebbioso A, Sarno F, Altucci L, Milelli A.

ChemMedChem. 2018 Feb 6;13(3):227-230. doi: 10.1002/cmdc.201700601. Epub 2018 Jan 18.

PMID:
29286587
47.

Structural basis of membrane disruption and cellular toxicity by α-synuclein oligomers.

Fusco G, Chen SW, Williamson PTF, Cascella R, Perni M, Jarvis JA, Cecchi C, Vendruscolo M, Chiti F, Cremades N, Ying L, Dobson CM, De Simone A.

Science. 2017 Dec 15;358(6369):1440-1443. doi: 10.1126/science.aan6160.

48.

[Bilirubin removal with Coupled Plasma Filtration and Adsorption in patients affected by hilar cholangiocarcinoma].

De Simone W, Crafa F, Noviello A, Esposito F, Zito B, Manganelli R, De Simone A, Covotta L, Palladino G, De Simone E.

G Ital Nefrol. 2017 Dec 5;34(Nov-Dec). pii: 2017-vol6. Italian.

PMID:
29207229
49.

A structural overview of mycobacterial adhesins: Key biomarkers for diagnostics and therapeutics.

Squeglia F, Ruggiero A, De Simone A, Berisio R.

Protein Sci. 2018 Feb;27(2):369-380. doi: 10.1002/pro.3346. Epub 2017 Dec 27. Review.

50.

Spontaneous nervous system concussion in dogs: a description of two cases and a review of terminology in veterinary medicine.

Giannuzzi AP, De Simone A, Ricciardi M.

Open Vet J. 2017;7(4):306-312. doi: 10.4314/ovj.v7i4.3. Epub 2017 Nov 6.

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