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Lipophilicity profiling and cell viability assessment of a selected panel of endocrine disruptors

Russo, Giacomo; Piccolo, Marialuisa; Neri, Ilaria; Ferraro, Maria Grazia; Santamaria, Rita; Grumetto, Lucia


Marialuisa Piccolo

Ilaria Neri

Maria Grazia Ferraro

Rita Santamaria

Lucia Grumetto


Endocrine disruptors are chemicals widely used worldwide by industries in a variety of applications. Routinely exposure to these chemicals, even if at low doses, can cause damage effects on human health. In the present study, we evaluated toxic effects of nine chemicals, among which phthalates, using various cell lines to inspect their capability to interfere with cell proliferation and viability.

Alongside, we investigated their affinity for phospholipids to assess the possible passage through biomembranes. Experimentally determined logkwIAM.MG values ranged from 1.37 to 3.49 whilst calculated log kwIAM.DD2 spanned from 1.80 to 5.21, supporting the target contaminants to exhibit lipophilicity moderate or very high. The achieved results were related to pharmacokinetic and toxicological properties by ADMET predictor™ and EPI Suite™ software. Triclosan and 4-Nonylphenol were found to be the most toxic against all cell lines screened, showing an IC50 of 30 μM for triclosan on human keratinocytes and of 50 μM for 4-Nonylphenol on human colorectal adenocarcinoma cells. Overall, even if the phthalates showed higher IC50 values (ranging from 170 μM to 280 μM), we can assert that all contaminants herein tested were able to interfere with cell growth and viability.

Journal Article Type Article
Acceptance Date Dec 13, 2022
Online Publication Date Dec 16, 2022
Publication Date 2023-02
Deposit Date Dec 16, 2022
Publicly Available Date Dec 17, 2023
Print ISSN 0045-6535
Publisher Elsevier
Peer Reviewed Peer Reviewed
Volume 313
Article Number 137569
Keywords Phthalates, Triclosan, Endocrine Disruptors, Cell Viability, ADMET prediction, Immobilized Artificial Membranes
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Lipophilicity Profiling And Cell Viability Assessment Of A Selected Panel Of Endocrine Disruptors (accepted version) (179 Kb)

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