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2000
Volume 26, Issue 3
  • ISSN: 1568-0266
  • E-ISSN: 1873-4294

Abstract

Introduction

Routine synthetic chemo-drugs for the treatment of glioma exhibit limited blood-brain barrier (BBB) permeation and unavoidable serious neuronal toxicity with substandard treatment outcomes, which necessitates the exploration of novel, efficacious yet healthy tissue-friendly entities having the desired physicochemical characteristics with effective anticancer potential.

Methods

ADMET analysis to investigate drug-likeness and toxicity profile of alpha-terpineol, followed by characterization of selected proteins. studies, such as molecular docking and molecular simulation studies, were employed. Further, to validate the results, an MTT assay and an in-vitro antioxidant study were carried out.

Results

ADMET analysis showed promising results. Alpha-terpineol docked preferentially with selected glioma proliferation proteins, having a good docking score (>8). Reasonable antioxidant and cytotoxicity activity (IC 18.3±1.1 µg/ml) was observed from DPPH and MTT assays .

Discussion

The present study confirmed the potential anti-inflammatory, antioxidant, and anticancer effects of AT, which were further supported by study results. ADME analysis showed favourable drug-likeness of AT with desirable BBB permeation characteristics. AT was found to be potentially toxic to C6 glioma cells, whereas negligibly toxic to healthy neuronal cells.

Conclusion

The outcomes of the study provide supportive evidence to proceed with further testing of AT in glioma models to establish it as a potent, efficacious anticancer drug.

© 2026 Bentham Science Publishers
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Unveiling Anti-Cancer Potential through ADMET Prediction, Molecular Docking, Molecular Dynamics, and In vitro Analysis: Approach to Establish Alpha-Terpineol as a Potential Drug Candidate against Glioma
Curr. Top. Med. Chem. 26, 250 (2026); https://doi.org/10.2174/0115680266386465250702204827
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  • Article Type:     Research Article
Keyword(s): ADMET analysis; Alpha-terpineol; Glioma; Molecular docking; Molecular dynamic simulation; MTT assay

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