2024, Vol. 5, Issue 2, Part A
In vitro evaluation of the anti-thyroid potential of selected carbazole derivatives: Molecular docking and cytotoxicity studies
Author(s): Parveen Rani and Sheetal
Abstract: Carbazole derivatives have gained significant attention due to their diverse biological activities. This study evaluates the anti-thyroid potential of selected carbazole derivatives through molecular docking and in vitro cytotoxicity assessments. The crystal structures of thyroid peroxidase (TPO) target proteins PDB 5HPW and PDB 1XZX were retrieved from the RCSB Protein Data Bank and prepared for molecular docking simulations. The docking was performed using iGEMDOCK and AutoDock Vina to identify potential inhibitors with high binding affinity. Two compounds, 7-Chloro-1,4-dimethyl-9H-carbazole (CDC/26h) and N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-pyridine carboxamide (CTCP/14h), exhibited strong binding interactions with the active site of TPO, suggesting their potential as thyroid hormone synthesis inhibitors. Further, in vitro assays using anaplastic (ARO, FRO) and papillary (TPC1, BHP 7-12) thyroid cancer cell lines were conducted. MTT assay results demonstrated that CDC/26h and CTCP/14h significantly inhibited cell proliferation, with IC50 values of 10.1 μg/ml, 5.8 μg/ml, 6.2 μg/ml and 11.43 μg/ml, respectively, which were lower than those of the standard anti-thyroid drug propylthiouracil. These findings suggest that carbazole derivatives have promising anti-thyroid properties and could be potential candidates for thyroid disorder therapeutics.
Pages: 94-96 | Views: 44 | Downloads: 17
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How to cite this article:
Parveen Rani, Sheetal. In vitro evaluation of the anti-thyroid potential of selected carbazole derivatives: Molecular docking and cytotoxicity studies. J Res Chem 2024;5(2):94-96.
