Izzah, Risalah Al (2024) Potensi senyawa aktif bunga chrysanthemum cinerariifolium terhadap penghambatan epidermal growth factor receptor dan mammalian target of rapamycin sebagai terapi oral squamous cell carcinoma (Studi In Silico). Undergraduate thesis, Universitas Islam Negeri Maulana Malik Ibrahim.
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Abstract
ABSTRAK:
Chrysanthemum cinerariifolium (Trev.) adalah tanaman hias yang diduga memilikikemampuan antikanker. Tujuan penelitian ini untuk mengetahui senyawa aktif yangterkandung dalam ekstrak bunga tanaman Chrysanthemum cinerariifolium (Trev.) melaluimetode metabolite profiling dengan instrumen UPLC-QToF-MS/MS, dan potensinyasebagai kandidat terapi OSCC melalui penghambatan EGFR dan Mtor denganmenggunakan studi in silico metode molecular docking. 27 Senyawa yang dihasilkan dariproses metabolite profiling selanjutnya diskrining dengan menggunakan webtoolSwissADME. Senyawa yang lolos skrining sebanyak 11 senyawa dan dilakukanpenambatan dengan protein EGFR (1M14) dan mTOR (1FAP), menunjukkan bahwasenyawa 7-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl hexopyranosidememiliki binding affinity yang paling rendah dibandingkan senyawa yang lain terhadapEGFR (1M14), dan senyawa (±)-Usnic acid memiliki binding affinity yang paling rendahdibandingkan senyawa yang lain terhadap mTOR (1FAP). Kedua senyawa tersebut jikadibandingan dengan senyawa kontrol (Gefitinib dan Tacrolimus) memiliki kualitas ikatanyang lebih stabil dengan penggambaran interaksi (visualisasi). Oleh karena itu, ekstrakbunga tanaman Chrysanthemum cinerariifolium (Trev.) memiliki potensi sebagai kandidatterapi OSCC melalui penghambatan proliferasi sel epitel squamousa rongga mulut.
ABSTRACT:
Chrysanthemum cinerariifolium (Trev.) is an ornamental plant that is thought to have anticancer abilities. The aim of this research is to determine the active compounds contained in the flower extract of the Chrysanthemum cinerariifolium (Trev.) plant through the metabolite profiling method with the UPLC-QToF-MS/MS instrument, and its potential as a candidate for OSCC therapy through inhibition of EGFR and Mtor using the in silico study method. molecular docking. 27 Compounds resulting from the metabolite profiling process were then screened using the SwissADME webtool. There were 11 compounds that passed the screening and were docked with EGFR (1M14) and mTOR (1FAP) proteins, showing that the compound 7-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-ylhexopyranoside has the lowest binding affinity compared to other compounds for EGFR (1M14), and the compound (±)-Usnic acid has the lowest binding affinity compared to other compounds for mTOR (1FAP). When compared to the control compounds (Gefitinib and Tacrolimus), these two compounds have a more stable bond quality with interaction depiction (visualization). Therefore, the flower extract of the Chrysanthemum cinerariifolium (Trev.) plant has potential as a candidate for OSCC therapy by inhibiting the proliferation of oral squamous epithelial cells
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