Molecular Docking and In vitro Cytotoxic Activity of Novel 1,3,4-thiadiazole Derivatives Against MCF-7 Cell Line

Mohamed Eleribi; Fakhri Elabbar; Basma Baaiu

doi:10.54361/ajmas.269502

Molecular Docking and In vitro Cytotoxic Activity of Novel 1,3,4-thiadiazole Derivatives Against MCF-7 Cell Line

Authors

Mohamed Eleribi Department of Chemistry, Faculty of Arts and Science, University of Benghazi, Benghazi, Libya https://orcid.org/0009-0008-3038-5665
Fakhri Elabbar Department of Chemistry, Faculty of Science, University of Benghazi, Benghazi, Libya https://orcid.org/0000-0001-6604-9497
Basma Baaiu Department of Chemistry, Faculty of Science, University of Benghazi, Benghazi, Libya https://orcid.org/0000-0002-1675-4670

DOI:

https://doi.org/10.54361/ajmas.269502

Keywords:

1,3,4-thiadiazole, Docking Studies, Cytotoxic Activity, Breast Cancer.

Abstract

This investigation assesses the cytotoxic profiles and docking properties of twelve newly synthesized 1,3,4-thiadiazole derivatives against the MCF-7 cell line. The results revealed that nine of these compounds displayed noteworthy cytotoxic activity, with the most effective compound recording an IC50 value of 17.30 μM. Additionally, docking analyses indicated binding energies ranging from (-7.6 to -12.4 kcal/mol). In silico evaluations confirmed that all compounds are in alignment with Lipinski's Rule of Five. Moreover, the ADMET properties suggest that these synthesized derivatives are suitable for oral administration.

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Published

2026-05-02

How to Cite

Mohamed Eleribi, Elabbar F, Baaiu B. Molecular Docking and In vitro Cytotoxic Activity of Novel 1,3,4-thiadiazole Derivatives Against MCF-7 Cell Line. Alq J Med App Sci [Internet]. 2026 May 2 [cited 2026 May 2];:1130-9. Available from: https://journal.utripoli.edu.ly/index.php/Alqalam/article/view/1577