Analysis of the metabolite compound of the ethanol extract of Chrysanthemum cinerariifolium stem and activity for inhibition of Oral Squamous Cell Carcinoma (OSCC) in silico study

Listiyana, Anik ORCID: https://orcid.org/0000-0001-6476-2977, Rachmawati, Yuanita Lely, Susianti, Hani, Nurdiana, Nurdiana, Sujuti, Hidayat, Mutiah, Roihatul and Endharti, Agustina Tri (2023) Analysis of the metabolite compound of the ethanol extract of Chrysanthemum cinerariifolium stem and activity for inhibition of Oral Squamous Cell Carcinoma (OSCC) in silico study. Pharmacognosy Journal, 15 (2). pp. 393-398. ISSN 0975-3575

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Abstract

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

Item Type:	Journal Article
Keywords:	Cyclin D1; Chrysanthemum cinerariifolium; OSCC; P13K
Subjects:	11 MEDICAL AND HEALTH SCIENCES > 1105 Dentistry > 110505 Oral Medicine and Pathology 11 MEDICAL AND HEALTH SCIENCES > 1112 Oncology and Carcinogenesis > 111299 Oncology and Carcinogenesis not elsewhere classified 11 MEDICAL AND HEALTH SCIENCES > 1115 Pharmacology and Pharmaceutical Sciences > 111599 Pharmacology and Pharmaceutical Sciences not elsewhere classified 11 MEDICAL AND HEALTH SCIENCES > 1112 Oncology and Carcinogenesis 11 MEDICAL AND HEALTH SCIENCES > 1115 Pharmacology and Pharmaceutical Sciences
Divisions:	Faculty of Medical and Health Sciences > Department of Medical Education
Depositing User:	Anik Listiyana
Date Deposited:	23 Oct 2023 10:10

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