Benedetti P - Search Results

1

Exposition and reactivity optimization to predict sites of metabolism in chemicals.

Cruciani G, Baroni M, Benedetti P, Goracci L, Fortuna CG. Cruciani G, et al. Among authors: benedetti p. Drug Discov Today Technol. 2013 Spring;10(1):e155-65. doi: 10.1016/j.ddtec.2012.11.001. Drug Discov Today Technol. 2013. PMID: 24050245

2

GBR compounds and mepyramines as cocaine abuse therapeutics: chemometric studies on selectivity using grid independent descriptors (GRIND).

Benedetti P, Mannhold R, Cruciani G, Pastor M. Benedetti P, et al. J Med Chem. 2002 Apr 11;45(8):1577-84. doi: 10.1021/jm011007+. J Med Chem. 2002. PMID: 11931612

3

Structure-based rationalization of antitumor drugs mechanism of action by a MIF approach.

Cruciani G, Benedetti P, Caltabiano G, Condorelli DF, Fortuna CG, Musumarra G. Cruciani G, et al. Among authors: benedetti p. Eur J Med Chem. 2004 Mar;39(3):281-9. doi: 10.1016/j.ejmech.2003.11.013. Eur J Med Chem. 2004. PMID: 15051177

4

A Pipeline To Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins.

Spyrakis F, Benedetti P, Decherchi S, Rocchia W, Cavalli A, Alcaro S, Ortuso F, Baroni M, Cruciani G. Spyrakis F, et al. Among authors: benedetti p. J Chem Inf Model. 2015 Oct 26;55(10):2256-74. doi: 10.1021/acs.jcim.5b00169. Epub 2015 Sep 22. J Chem Inf Model. 2015. PMID: 26355717 Free article.

5

From Experiments to a Fast Easy-to-Use Computational Methodology to Predict Human Aldehyde Oxidase Selectivity and Metabolic Reactions.

Cruciani G, Milani N, Benedetti P, Lepri S, Cesarini L, Baroni M, Spyrakis F, Tortorella S, Mosconi E, Goracci L. Cruciani G, et al. Among authors: benedetti p. J Med Chem. 2018 Jan 11;61(1):360-371. doi: 10.1021/acs.jmedchem.7b01552. Epub 2017 Dec 29. J Med Chem. 2018. PMID: 29240409 Free article.

6

Discovering New Casein Kinase 1d Inhibitors with an Innovative Molecular Dynamics Enabled Virtual Screening Workflow.

Sciabola S, Benedetti P, D'Arrigo G, Torella R, Baroni M, Cruciani G, Spyrakis F. Sciabola S, et al. Among authors: benedetti p. ACS Med Chem Lett. 2018 Dec 13;10(4):487-492. doi: 10.1021/acsmedchemlett.8b00523. eCollection 2019 Apr 11. ACS Med Chem Lett. 2018. PMID: 30996784 Free PMC article.

7

Discovery of novel SARS-CoV-2 inhibitors targeting the main protease M^pro by virtual screenings and hit optimization.

Mercorelli B, Desantis J, Celegato M, Bazzacco A, Siragusa L, Benedetti P, Eleuteri M, Croci F, Cruciani G, Goracci L, Loregian A. Mercorelli B, et al. Among authors: benedetti p. Antiviral Res. 2022 Aug;204:105350. doi: 10.1016/j.antiviral.2022.105350. Epub 2022 Jun 7. Antiviral Res. 2022. PMID: 35688349 Free PMC article.

8

Between Theory and Practice: Computational/Experimental Integrated Approaches to Understand the Solubility and Lipophilicity of PROTACs.

Venturi A, Di Bona S, Desantis J, Eleuteri M, Bartalucci M, Baroni M, Benedetti P, Goracci L, Cruciani G. Venturi A, et al. Among authors: benedetti p. J Med Chem. 2024 Sep 26;67(18):16355-16380. doi: 10.1021/acs.jmedchem.4c01235. Epub 2024 Sep 13. J Med Chem. 2024. PMID: 39271471

9

Design, synthesis and in vitro antitumor activity of new trans 2-[2-(heteroaryl)vinyl]-1,3-dimethylimidazolium iodides.

Ballistreri FP, Barresi V, Benedetti P, Caltabiano G, Fortuna CG, Longo ML, Musumarra G. Ballistreri FP, et al. Among authors: benedetti p. Bioorg Med Chem. 2004 Apr 1;12(7):1689-95. doi: 10.1016/j.bmc.2004.01.018. Bioorg Med Chem. 2004. PMID: 15028261

10

GRIND/ALMOND investigations on CysLT1 receptor antagonists of the quinolinyl(bridged)aryl type.

Benedetti P, Mannhold R, Cruciani G, Ottaviani G. Benedetti P, et al. Bioorg Med Chem. 2004 Jul 1;12(13):3607-17. doi: 10.1016/j.bmc.2004.04.018. Bioorg Med Chem. 2004. PMID: 15186845

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