Gadaleta D - Search Results

1

Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 Cells.

Béquignon OJM, Gómez-Tamayo JC, Lenselink EB, Wink S, Hiemstra S, Lam CC, Gadaleta D, Roncaglioni A, Norinder U, Water BV, Pastor M, van Westen GJP. Béquignon OJM, et al. Among authors: gadaleta d. J Chem Inf Model. 2023 Sep 11;63(17):5433-5445. doi: 10.1021/acs.jcim.3c00220. Epub 2023 Aug 24. J Chem Inf Model. 2023. PMID: 37616385 Free PMC article.

2

Novel chemotypes targeting tubulin at the colchicine binding site and unbiasing P-glycoprotein.

Mangiatordi GF, Trisciuzzi D, Alberga D, Denora N, Iacobazzi RM, Gadaleta D, Catto M, Nicolotti O. Mangiatordi GF, et al. Among authors: gadaleta d. Eur J Med Chem. 2017 Oct 20;139:792-803. doi: 10.1016/j.ejmech.2017.07.037. Epub 2017 Jul 21. Eur J Med Chem. 2017. PMID: 28863359

3

Fine molecular tuning at position 4 of 2H-chromen-2-one derivatives in the search of potent and selective monoamine oxidase B inhibitors.

Pisani L, Catto M, Nicolotti O, Grossi G, Di Braccio M, Soto-Otero R, Mendez-Alvarez E, Stefanachi A, Gadaleta D, Carotti A. Pisani L, et al. Among authors: gadaleta d. Eur J Med Chem. 2013;70:723-39. doi: 10.1016/j.ejmech.2013.09.034. Epub 2013 Oct 17. Eur J Med Chem. 2013. PMID: 24231308

4

A rational approach to elucidate human monoamine oxidase molecular selectivity.

Mangiatordi GF, Alberga D, Pisani L, Gadaleta D, Trisciuzzi D, Farina R, Carotti A, Lattanzi G, Catto M, Nicolotti O. Mangiatordi GF, et al. Among authors: gadaleta d. Eur J Pharm Sci. 2017 Apr 1;101:90-99. doi: 10.1016/j.ejps.2017.02.008. Epub 2017 Feb 7. Eur J Pharm Sci. 2017. PMID: 28188911

5

Mind the Gap! A Journey towards Computational Toxicology.

Mangiatordi GF, Alberga D, Altomare CD, Carotti A, Catto M, Cellamare S, Gadaleta D, Lattanzi G, Leonetti F, Pisani L, Stefanachi A, Trisciuzzi D, Nicolotti O. Mangiatordi GF, et al. Among authors: gadaleta d. Mol Inform. 2016 Sep;35(8-9):294-308. doi: 10.1002/minf.201501017. Epub 2016 Apr 13. Mol Inform. 2016. PMID: 27546034 Review.

6

In silico design of novel 2H-chromen-2-one derivatives as potent and selective MAO-B inhibitors.

Pisani L, Farina R, Nicolotti O, Gadaleta D, Soto-Otero R, Catto M, Di Braccio M, Mendez-Alvarez E, Carotti A. Pisani L, et al. Among authors: gadaleta d. Eur J Med Chem. 2015 Jan 7;89:98-105. doi: 10.1016/j.ejmech.2014.10.029. Epub 2014 Oct 13. Eur J Med Chem. 2015. PMID: 25462230

7

Evaluation and comparison of benchmark QSAR models to predict a relevant REACH endpoint: The bioconcentration factor (BCF).

Gissi A, Lombardo A, Roncaglioni A, Gadaleta D, Mangiatordi GF, Nicolotti O, Benfenati E. Gissi A, et al. Among authors: gadaleta d. Environ Res. 2015 Feb;137:398-409. doi: 10.1016/j.envres.2014.12.019. Epub 2015 Jan 21. Environ Res. 2015. PMID: 25616163

8

QSAR Modeling of ToxCast Assays Relevant to the Molecular Initiating Events of AOPs Leading to Hepatic Steatosis.

Gadaleta D, Manganelli S, Roncaglioni A, Toma C, Benfenati E, Mombelli E. Gadaleta D, et al. J Chem Inf Model. 2018 Aug 27;58(8):1501-1517. doi: 10.1021/acs.jcim.8b00297. Epub 2018 Jul 26. J Chem Inf Model. 2018. PMID: 29949360

9

QSAR Development for Plasma Protein Binding: Influence of the Ionization State.

Toma C, Gadaleta D, Roncaglioni A, Toropov A, Toropova A, Marzo M, Benfenati E. Toma C, et al. Among authors: gadaleta d. Pharm Res. 2018 Dec 27;36(2):28. doi: 10.1007/s11095-018-2561-8. Pharm Res. 2018. PMID: 30591975 Free PMC article.

10

Automated integration of structural, biological and metabolic similarities to improve read-across.

Gadaleta D, Golbamaki Bakhtyari A, Lavado GJ, Roncaglioni A, Benfenati E. Gadaleta D, et al. ALTEX. 2020;37(3):469-481. doi: 10.14573/altex.2002281. Epub 2020 May 9. ALTEX. 2020. PMID: 32388568 Free article.

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