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Items: 18

1.

A Triazolotriazine-Based Dual GSK-3β/CK-1δ Ligand as a Potential Neuroprotective Agent Presenting Two Different Mechanisms of Enzymatic Inhibition.

Redenti S, Marcovich I, De Vita T, Pérez C, De Zorzi R, Demitri N, Perez DI, Bottegoni G, Bisignano P, Bissaro M, Moro S, Martinez A, Storici P, Spalluto G, Cavalli A, Federico S.

ChemMedChem. 2019 Feb 5;14(3):310-314. doi: 10.1002/cmdc.201800778. Epub 2019 Jan 15.

PMID:
30548443
2.

Inhibitor binding mode and allosteric regulation of Na+-glucose symporters.

Bisignano P, Ghezzi C, Jo H, Polizzi NF, Althoff T, Kalyanaraman C, Friemann R, Jacobson MP, Wright EM, Grabe M.

Nat Commun. 2018 Dec 7;9(1):5245. doi: 10.1038/s41467-018-07700-1.

3.

Cilia-Associated Oxysterols Activate Smoothened.

Raleigh DR, Sever N, Choksi PK, Sigg MA, Hines KM, Thompson BM, Elnatan D, Jaishankar P, Bisignano P, Garcia-Gonzalo FR, Krup AL, Eberl M, Byrne EFX, Siebold C, Wong SY, Renslo AR, Grabe M, McDonald JG, Xu L, Beachy PA, Reiter JF.

Mol Cell. 2018 Oct 18;72(2):316-327.e5. doi: 10.1016/j.molcel.2018.08.034.

4.

Substrate-bound outward-open structure of a Na+-coupled sialic acid symporter reveals a new Na+ site.

Wahlgren WY, Dunevall E, North RA, Paz A, Scalise M, Bisignano P, Bengtsson-Palme J, Goyal P, Claesson E, Caing-Carlsson R, Andersson R, Beis K, Nilsson UJ, Farewell A, Pochini L, Indiveri C, Grabe M, Dobson RCJ, Abramson J, Ramaswamy S, Friemann R.

Nat Commun. 2018 May 1;9(1):1753. doi: 10.1038/s41467-018-04045-7.

5.

Conformational transitions of the sodium-dependent sugar transporter, vSGLT.

Paz A, Claxton DP, Kumar JP, Kazmier K, Bisignano P, Sharma S, Nolte SA, Liwag TM, Nayak V, Wright EM, Grabe M, Mchaourab HS, Abramson J.

Proc Natl Acad Sci U S A. 2018 Mar 20;115(12):E2742-E2751. doi: 10.1073/pnas.1718451115. Epub 2018 Mar 5.

6.

Protonation state of glutamate 73 regulates the formation of a specific dimeric association of mVDAC1.

Bergdoll LA, Lerch MT, Patrick JW, Belardo K, Altenbach C, Bisignano P, Laganowsky A, Grabe M, Hubbell WL, Abramson J.

Proc Natl Acad Sci U S A. 2018 Jan 9;115(2):E172-E179. doi: 10.1073/pnas.1715464115. Epub 2017 Dec 26.

7.

Stochastic steps in secondary active sugar transport.

Adelman JL, Ghezzi C, Bisignano P, Loo DD, Choe S, Abramson J, Rosenberg JM, Wright EM, Grabe M.

Proc Natl Acad Sci U S A. 2016 Jul 5;113(27):E3960-6. doi: 10.1073/pnas.1525378113. Epub 2016 Jun 20.

8.

Identification of a small-molecule ligand that activates the neuropeptide receptor GPR171 and increases food intake.

Wardman JH, Gomes I, Bobeck EN, Stockert JA, Kapoor A, Bisignano P, Gupta A, Mezei M, Kumar S, Filizola M, Devi LA.

Sci Signal. 2016 May 31;9(430):ra55. doi: 10.1126/scisignal.aac8035.

9.

Versatility of the Curcumin Scaffold: Discovery of Potent and Balanced Dual BACE-1 and GSK-3β Inhibitors.

Di Martino RM, De Simone A, Andrisano V, Bisignano P, Bisi A, Gobbi S, Rampa A, Fato R, Bergamini C, Perez DI, Martinez A, Bottegoni G, Cavalli A, Belluti F.

J Med Chem. 2016 Jan 28;59(2):531-44. doi: 10.1021/acs.jmedchem.5b00894. Epub 2016 Jan 7.

PMID:
26696252
10.

Development and Application of a Virtual Screening Protocol for the Identification of Multitarget Fragments.

Bottegoni G, Veronesi M, Bisignano P, Kacker P, Favia AD, Cavalli A.

ChemMedChem. 2016 Jun 20;11(12):1259-63. doi: 10.1002/cmdc.201500521. Epub 2015 Dec 10.

PMID:
26663255
11.

Ligand-Based Discovery of a New Scaffold for Allosteric Modulation of the μ-Opioid Receptor.

Bisignano P, Burford NT, Shang Y, Marlow B, Livingston KE, Fenton AM, Rockwell K, Budenholzer L, Traynor JR, Gerritz SW, Alt A, Filizola M.

J Chem Inf Model. 2015 Sep 28;55(9):1836-43. doi: 10.1021/acs.jcim.5b00388. Epub 2015 Sep 15.

12.

Multitarget drug discovery for Alzheimer's disease: triazinones as BACE-1 and GSK-3β inhibitors.

Prati F, De Simone A, Bisignano P, Armirotti A, Summa M, Pizzirani D, Scarpelli R, Perez DI, Andrisano V, Perez-Castillo A, Monti B, Massenzio F, Polito L, Racchi M, Favia AD, Bottegoni G, Martinez A, Bolognesi ML, Cavalli A.

Angew Chem Int Ed Engl. 2015 Jan 26;54(5):1578-82. doi: 10.1002/anie.201410456. Epub 2014 Dec 11.

PMID:
25504761
13.

Mechanistic insights into the allosteric modulation of opioid receptors by sodium ions.

Shang Y, LeRouzic V, Schneider S, Bisignano P, Pasternak GW, Filizola M.

Biochemistry. 2014 Aug 12;53(31):5140-9. doi: 10.1021/bi5006915. Epub 2014 Jul 29.

14.

Kinetic characterization of fragment binding in AmpC β-lactamase by high-throughput molecular simulations.

Bisignano P, Doerr S, Harvey MJ, Favia AD, Cavalli A, De Fabritiis G.

J Chem Inf Model. 2014 Feb 24;54(2):362-6. doi: 10.1021/ci4006063. Epub 2014 Jan 30.

PMID:
24444037
15.

In silico deconstruction of ATP-competitive inhibitors of glycogen synthase kinase-3β.

Bisignano P, Lambruschini C, Bicego M, Murino V, Favia AD, Cavalli A.

J Chem Inf Model. 2012 Dec 21;52(12):3233-44. doi: 10.1021/ci300355p. Epub 2012 Dec 12.

PMID:
23198830
16.

PLI: a web-based tool for the comparison of protein-ligand interactions observed on PDB structures.

Gallina AM, Bisignano P, Bergamino M, Bordo D.

Bioinformatics. 2013 Feb 1;29(3):395-7. doi: 10.1093/bioinformatics/bts691. Epub 2012 Nov 29.

PMID:
23196990
17.

SERAPhiC: a benchmark for in silico fragment-based drug design.

Favia AD, Bottegoni G, Nobeli I, Bisignano P, Cavalli A.

J Chem Inf Model. 2011 Nov 28;51(11):2882-96. doi: 10.1021/ci2003363. Epub 2011 Oct 12.

PMID:
21936510
18.

Molecular dynamics analysis of the wild type and dF508 mutant structures of the human CFTR-nucleotide binding domain 1.

Bisignano P, Moran O.

Biochimie. 2010 Jan;92(1):51-7. doi: 10.1016/j.biochi.2009.09.007. Epub 2009 Sep 23.

PMID:
19781595

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