Gadaleta D - Search Results

1

REACH and in silico methods: an attractive opportunity for medicinal chemists.

Nicolotti O, Benfenati E, Carotti A, Gadaleta D, Gissi A, Mangiatordi GF, Novellino E. Nicolotti O, et al. Among authors: gadaleta d. Drug Discov Today. 2014 Nov;19(11):1757-1768. doi: 10.1016/j.drudis.2014.06.027. Epub 2014 Jul 3. Drug Discov Today. 2014. PMID: 24998783 Review.

2

Integration of QSAR models for bioconcentration suitable for REACH.

Gissi A, Nicolotti O, Carotti A, Gadaleta D, Lombardo A, Benfenati E. Gissi A, et al. Among authors: gadaleta d. Sci Total Environ. 2013 Jul 1;456-457:325-32. doi: 10.1016/j.scitotenv.2013.03.104. Epub 2013 Apr 24. Sci Total Environ. 2013. PMID: 23624006

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

An alternative QSAR-based approach for predicting the bioconcentration factor for regulatory purposes.

Gissi A, Gadaleta D, Floris M, Olla S, Carotti A, Novellino E, Benfenati E, Nicolotti O. Gissi A, et al. Among authors: gadaleta d. ALTEX. 2014;31(1):23-36. doi: 10.14573/altex.1305221. Epub 2013 Nov 13. ALTEX. 2014. PMID: 24247988 Free article.

5

A k-NN algorithm for predicting the oral sub-chronic toxicity in the rat.

Gadaleta D, Pizzo F, Lombardo A, Carotti A, Escher SE, Nicolotti O, Benfenati E. Gadaleta D, et al. ALTEX. 2014;31(4):423-32. doi: 10.14573/altex.1405091. Epub 2014 Jul 10. ALTEX. 2014. PMID: 25048736 Free article.

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

CORAL: model for no observed adverse effect level (NOAEL).

Toropov AA, Toropova AP, Pizzo F, Lombardo A, Gadaleta D, Benfenati E. Toropov AA, et al. Among authors: gadaleta d. Mol Divers. 2015 Aug;19(3):563-75. doi: 10.1007/s11030-015-9587-1. Epub 2015 Apr 8. Mol Divers. 2015. PMID: 25850638 Free PMC article.

9

Structure-Based Design and Optimization of Multitarget-Directed 2H-Chromen-2-one Derivatives as Potent Inhibitors of Monoamine Oxidase B and Cholinesterases.

Farina R, Pisani L, Catto M, Nicolotti O, Gadaleta D, Denora N, Soto-Otero R, Mendez-Alvarez E, Passos CS, Muncipinto G, Altomare CD, Nurisso A, Carrupt PA, Carotti A. Farina R, et al. Among authors: gadaleta d. J Med Chem. 2015 Jul 23;58(14):5561-78. doi: 10.1021/acs.jmedchem.5b00599. Epub 2015 Jul 9. J Med Chem. 2015. PMID: 26107513

10

Identification of structural alerts for liver and kidney toxicity using repeated dose toxicity data.

Pizzo F, Gadaleta D, Lombardo A, Nicolotti O, Benfenati E. Pizzo F, et al. Among authors: gadaleta d. Chem Cent J. 2015 Nov 5;9:62. doi: 10.1186/s13065-015-0139-7. eCollection 2015. Chem Cent J. 2015. PMID: 26550029 Free PMC article.

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