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Items: 18

1.

Combining Molecular Dynamics and Docking Simulations to Develop Targeted Protocols for Performing Optimized Virtual Screening Campaigns on The hTRPM8 Channel.

Talarico C, Gervasoni S, Manelfi C, Pedretti A, Vistoli G, Beccari AR.

Int J Mol Sci. 2020 Mar 25;21(7). pii: E2265. doi: 10.3390/ijms21072265.

2.

Auto-regulation of Secretory Flux by Sensing and Responding to the Folded Cargo Protein Load in the Endoplasmic Reticulum.

Subramanian A, Capalbo A, Iyengar NR, Rizzo R, di Campli A, Di Martino R, Lo Monte M, Beccari AR, Yerudkar A, Del Vecchio C, Glielmo L, Turacchio G, Pirozzi M, Kim SG, Henklein P, Cancino J, Parashuraman S, Diviani D, Fanelli F, Sallese M, Luini A.

Cell. 2019 Mar 7;176(6):1461-1476.e23. doi: 10.1016/j.cell.2019.01.035.

3.

ADPredict: ADP-ribosylation site prediction based on physicochemical and structural descriptors.

Lo Monte M, Manelfi C, Gemei M, Corda D, Beccari AR.

Bioinformatics. 2018 Aug 1;34(15):2566-2574. doi: 10.1093/bioinformatics/bty159.

4.

Publisher Correction: Novel selective, potent naphthyl TRPM8 antagonists identified through a combined ligand- and structure-based virtual screening approach.

Beccari AR, Gemei M, Lo Monte M, Menegatti N, Fanton M, Pedretti A, Bovolenta S, Nucci C, Molteni A, Rossignoli A, Brandolini L, Taddei A, Za L, Liberati C, Vistoli G.

Sci Rep. 2018 Mar 6;8(1):4250. doi: 10.1038/s41598-018-21902-z.

5.

PARP1-produced poly-ADP-ribose causes the PARP12 translocation to stress granules and impairment of Golgi complex functions.

Catara G, Grimaldi G, Schembri L, Spano D, Turacchio G, Lo Monte M, Beccari AR, Valente C, Corda D.

Sci Rep. 2017 Oct 25;7(1):14035. doi: 10.1038/s41598-017-14156-8.

6.

Novel selective, potent naphthyl TRPM8 antagonists identified through a combined ligand- and structure-based virtual screening approach.

Beccari AR, Gemei M, Lo Monte M, Menegatti N, Fanton M, Pedretti A, Bovolenta S, Nucci C, Molteni A, Rossignoli A, Brandolini L, Taddei A, Za L, Liberati C, Vistoli G.

Sci Rep. 2017 Sep 8;7(1):10999. doi: 10.1038/s41598-017-11194-0. Erratum in: Sci Rep. 2018 Mar 6;8(1):4250.

7.

Targeting the minor pocket of C5aR for the rational design of an oral allosteric inhibitor for inflammatory and neuropathic pain relief.

Moriconi A, Cunha TM, Souza GR, Lopes AH, Cunha FQ, Carneiro VL, Pinto LG, Brandolini L, Aramini A, Bizzarri C, Bianchini G, Beccari AR, Fanton M, Bruno A, Costantino G, Bertini R, Galliera E, Locati M, Ferreira SH, Teixeira MM, Allegretti M.

Proc Natl Acad Sci U S A. 2014 Nov 25;111(47):16937-42. doi: 10.1073/pnas.1417365111. Epub 2014 Nov 10.

8.

Molecular mechanism and functional role of brefeldin A-mediated ADP-ribosylation of CtBP1/BARS.

Colanzi A, Grimaldi G, Catara G, Valente C, Cericola C, Liberali P, Ronci M, Lalioti VS, Bruno A, Beccari AR, Urbani A, De Flora A, Nardini M, Bolognesi M, Luini A, Corda D.

Proc Natl Acad Sci U S A. 2013 Jun 11;110(24):9794-9. doi: 10.1073/pnas.1222413110. Epub 2013 May 28.

9.

State-of-the-art and dissemination of computational tools for drug-design purposes: a survey among Italian academics and industrial institutions.

Artese A, Alcaro S, Moraca F, Reina R, Ventura M, Costantino G, Beccari AR, Ortuso F.

Future Med Chem. 2013 May;5(8):907-27. doi: 10.4155/fmc.13.59.

PMID:
23682568
10.

LiGen: a high performance workflow for chemistry driven de novo design.

Beccari AR, Cavazzoni C, Beato C, Costantino G.

J Chem Inf Model. 2013 Jun 24;53(6):1518-27. doi: 10.1021/ci400078g. Epub 2013 May 28.

PMID:
23617275
11.

Use of experimental design to optimize docking performance: the case of LiGenDock, the docking module of LiGen, a new de novo design program.

Beato C, Beccari AR, Cavazzoni C, Lorenzi S, Costantino G.

J Chem Inf Model. 2013 Jun 24;53(6):1503-17. doi: 10.1021/ci400079k. Epub 2013 Apr 30.

PMID:
23590204
12.

Exploring the activation mechanism of TRPM8 channel by targeted MD simulations.

Pedretti A, Labozzetta A, Lo Monte M, Beccari AR, Moriconi A, Vistoli G.

Biochem Biophys Res Commun. 2011 Oct 14;414(1):14-9. doi: 10.1016/j.bbrc.2011.08.134. Epub 2011 Sep 6.

PMID:
21924242
13.

Receptor binding mode and pharmacological characterization of a potent and selective dual CXCR1/CXCR2 non-competitive allosteric inhibitor.

Bertini R, Barcelos LS, Beccari AR, Cavalieri B, Moriconi A, Bizzarri C, Di Benedetto P, Di Giacinto C, Gloaguen I, Galliera E, Corsi MM, Russo RC, Andrade SP, Cesta MC, Nano G, Aramini A, Cutrin JC, Locati M, Allegretti M, Teixeira MM.

Br J Pharmacol. 2012 Jan;165(2):436-54. doi: 10.1111/j.1476-5381.2011.01566.x.

14.

Biological and biophysical properties of the histone deacetylase inhibitor suberoylanilide hydroxamic acid are affected by the presence of short alkyl groups on the phenyl ring.

Oger F, Lecorgne A, Sala E, Nardese V, Demay F, Chevance S, Desravines DC, Aleksandrova N, Le Guével R, Lorenzi S, Beccari AR, Barath P, Hart DJ, Bondon A, Carettoni D, Simonneaux G, Salbert G.

J Med Chem. 2010 Mar 11;53(5):1937-50. doi: 10.1021/jm901561u.

PMID:
20143840
15.

Design of noncompetitive interleukin-8 inhibitors acting on CXCR1 and CXCR2.

Moriconi A, Cesta MC, Cervellera MN, Aramini A, Coniglio S, Colagioia S, Beccari AR, Bizzarri C, Cavicchia MR, Locati M, Galliera E, Di Benedetto P, Vigilante P, Bertini R, Allegretti M.

J Med Chem. 2007 Aug 23;50(17):3984-4002. Epub 2007 Aug 1.

PMID:
17665889
16.

ELR+ CXC chemokines and their receptors (CXC chemokine receptor 1 and CXC chemokine receptor 2) as new therapeutic targets.

Bizzarri C, Beccari AR, Bertini R, Cavicchia MR, Giorgini S, Allegretti M.

Pharmacol Ther. 2006 Oct;112(1):139-49. Epub 2006 May 23. Review.

PMID:
16720046
17.

Targeting C5a: recent advances in drug discovery.

Allegretti M, Moriconi A, Beccari AR, Di Bitondo R, Bizzarri C, Bertini R, Colotta F.

Curr Med Chem. 2005;12(2):217-36. Review.

PMID:
15638737
18.

Combining molecular modeling with experimental methodologies: mechanism of membrane permeation and accumulation of ofloxacin.

Fresta M, Guccione S, Beccari AR, Furneri PM, Puglisi G.

Bioorg Med Chem. 2002 Dec;10(12):3871-89.

PMID:
12413839

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