Anik Listiyana, Yuanita Lely Rachmawati, Hani Susianti, Nurdiana, Hidayat Sujuti, Roihatul Mutiah, Agustina Tri Endharti
Background: Oral cancer is a deadly disease that is expected to increase yearly. Current cancer treatment methods have side effects. C. cinerariifolium plants have potential as anticancer agents. Objective: To evaluate the anti-OSCC properties of the ethanol extract of C. cinerariifolium stems via an in-silico study. Materials and Methods: Analysis of active compounds in ethanol extracts of C. cinerariifolium stems using TLC and UPLC-QToF-MS/MS metabolic profiling. The data were analysed statistically using principal component analysis (PCA). In silico of C. cinerariifolium compounds on protein (PI3K and Cyclin D) from OSCC. Results: TLC procedures utilizing UV light with λ 366 nm after spraying with H2SO4 revealed multiple-colored spots, indicating that H2SO4 is a specific spray detector for terpenoid and carotene. Metabolic profiling in ethanol extract of C. cinerariifolium stem included Pronethalol (3.96%), 1-(4-Methoxyphenyl)-N-(1 naphthylmethyl) methanamine (7.34%), Orphenadrine (24.27%), Pentazocine (5.09%), 4-(Dodecyloxy) aniline (6.30%), Linoleamide (4.95%), and Pheophorbide A (8.05%). Orphenadrine had the highest percentage. Based on the Lipinski rule of five, pronethalol has the potential to be used as a drug-like therapy for OSCC. The anticancer activity profile is predicted by PASS online with a likely range of 0.065 to 0.385. An in-silico study showed that the strongest binding affinity is pronethalol to Cyclin D1 and pheophorbide A to the PI3K protein. Conclusion: The active metabolite of the ethanolic extract of C. cinerariifolium stem exhibits potency against oral squamous cell carcinoma via the downregulation of the cell cycle (cyclin D1) and P13K, especially pronethalol. © 2023 Phcogj.Com. This is an openaccess article distributed under the terms of the Creative Commons Attribution 4.0 International license.
Doctoral Program in Medical Science, Faculty of Medicine, Universitas Brawijaya, Malang, Indonesia; Department of Medical Education, Faculty of Medicine and Health Sciences, Universitas Islam Negeri Maulana Malik Ibrahim, Malang, Indonesia; Department of Preventive and Public Health Dentistry, Faculty of Dentistry, Universitas Brawijaya, Malang, Indonesia; Department of Clinical Pathology, Faculty of Medicine, Universitas Brawijaya, Malang, Indonesia; Department of Pharmacology, Faculty of Medicine, Universitas Brawijaya, Malang, Indonesia; Department of Biochemistry and Biomolecular, Faculty of Medicine, Universitas Brawijaya, Malang, Indonesia; Department of Pharmacy, Faculty of Medicine and Health Sciences, Universitas Islam Negeri Maulana Malik Ibrahim, Malang, Indonesia; Department of Parasitology, Faculty of Medicine, Universitas Brawijaya, Malang, Indonesia