[Elsevier] A thiosemicarbazone derivative as a potential multi-target inhibitor: Molecular docking, DFT, QTAIM, and NLO investigation of thione and thiol tautomers

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journal：Talanta

Authors：Nadia Benhalima; Fatima Yahia Cherif; Nawel Khelloul; Emad Rashad Sindi; Sana Ben Moussa; Abdullah Yahya Abdullah Alzahrani; Ahmed Khelifaoui; Mohammad Borhan Uddin; Guendouzi Abdelkrim; Magdi E.A. Zaki

Published date：2027-2-

DOI：10.1016/j.talanta.2026.130508

PDF link：https://www.sciencedirect.com/sc ... 039914026011641/pdf

Article link：https://doi.org/10.1016/j.talanta.2026.130508

Article Source：Elsevier BV。

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[Elsevier] A thiosemicarbazone derivative as a potential multi-target inhibitor: Molecular docking, DFT, QTAIM, and NLO investigation of thione and thiol tautomers