Barjera, Aiko Kansha (2025) Studi Komparatif Ekstraksi, Profil Fitokimia, Dan Penambatan Molekular Minyak Atsiri Rimpang Kencur (Kaempferia Galanga L.) Sebagai Agen Antikanker Payudara. Other thesis, Institut Teknologi Sepuluh Nopember.
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Abstract
Minyak atsiri dari rimpang kencur (Kaempferia galanga L.) merupakan komoditas penting karena kandungan senyawa bioaktifnya seperti etil sinamat yang berpotensi sebagai agen antikanker. Kualitas dan komposisi minyak ini diketahui sangat bergantung pada metode ekstraksi yang digunakan. Penelitian ini bertujuan untuk memperoleh minyak atsiri rimpang kencur melalui tiga metode ekstraksi yaitu hidrodestilasi, destilasi uap, dan Microwave-Assisted Hydrodistillation (MAHD), dan mengetahui profil kimia serta mengevaluasi potensi antikankernya secara in silico. Ekstraksi dilakukan pada rimpang kencur kering, kemudian rendemen dihitung dan komposisi kimianya dianalisis menggunakan Gas Chromatography-Mass Spectrometry (GC-MS). Dilakukan prediksi profil farmakokinetiknya dengan analisis ADMET pada senyawa mayor yang diperoleh dan diuji potensinya terhadap reseptor Estrogen Alfa (ERα) melalui molecular docking. Hasil menunjukkan metode destilasi uap menghasilkan rendemen tertinggi (1,359%), namun secara statistik tidak berbeda signifikan dengan metode lain (p > 0,05). Analisis GC-MS mengungkap perbedaan komposisi, yaitu metode HD didominasi oleh etil p-metoksisinamat (64,22%), sedangkan metode MAHD tidak mendeteksi senyawa tersebut dan justru menghasilkan komposisi yang lebih beragam dengan heptadekana (23,39%) dan etil sinamat (17,31%) sebagai komponen utama. Hasil Hasil uji in silico menunjukkan bahwa etil sinamat memiliki afinitas ikatan yang lemah terhadap ERα (-7,372 kcal/mol) namun menunjukkan profil ADMET yang sangat baik. Disimpulkan bahwa metode ekstraksi secara drastis mengubah profil kimia minyak atsiri kencur, dimana MAHD berpotensi menyebabkan degradasi senyawa utama. Meskipun potensi senyawa mayor sebagai agen antikanker langsung dinilai rendah akibat interaksi yang lemah dengan target, profil farmakokinetiknya yang ideal menjadikannya kandidat yang sangat menjanjikan sebagai kerangka awal (scaffold) untuk pengembangan obat antikanker payudara di masa depan.
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The essential oil from kencur rhizome (Kaempferia galanga L.) is an important commodity due to its content of bioactive compounds such as ethyl p-methoxycinnamate (EPMC), which has potential as an anticancer agent. The quality and composition of this oil are known to be highly dependent on the extraction method used. This study aimed to compare the effectiveness of three extraction methods, hydrodistillation, steam distillation, and Microwave-Assisted Hydrodistillation (MAHD), on the yield and chemical profile of kencur essential oil, as well as to evaluate its anticancer potential in silico. Extraction was performed on dried kencur rhizomes, after which the yield was calculated and the chemical composition was analyzed using Gas Chromatography-Mass Spectrometry (GC-MS). Subsequently, the major compounds were predicted for their pharmacokinetic profiles via ADMET analysis and tested for their potential against the Estrogen Receptor Alpha (ERα) through molecular docking. The results showed that the steam distillation method produced the highest yield (1.359%), although it was not statistically different from the other methods (p > 0.05). GC-MS analysis revealed fundamental differences in composition, the HD method was dominated by ethyl p-methoxycinnamate (64.22%), whereas the MAHD method did not detect this compound and instead produced a more diverse composition with heptadecane (23.39%) and ethyl cinnamate (17.31%) as major components. The in silico study indicated that ethyl cinnamate has a weak binding affinity for ERα (-7.372 kcal/mol) but exhibits an excellent ADMET profile. It is concluded that the extraction method drastically alters the chemical profile of kencur essential oil, with MAHD potentially causing degradation of the main compound. Although the potential of the major compounds as direct anticancer agents is considered low due to weak target interaction, their ideal pharmacokinetic profile makes them highly promising candidates as a starting scaffold for future breast cancer drug development.
| Item Type: | Thesis (Other) |
|---|---|
| Uncontrolled Keywords: | Kaempferia galanga L., Minyak Atsiri, MAHD, GC-MS, Molecular Docking, Antikanker Payudara, Kaempferia galanga L., Essential Oil, MAHD, GC-MS, Molecular Docking, Breast Cancer |
| Subjects: | Q Science > QD Chemistry > QD251.2 Chemistry, Organic. Biochemistry Q Science > QD Chemistry > QD416 Essences and essential oils. Q Science > QD Chemistry > QD471 Chemical compounds - Structure and formulas Q Science > QD Chemistry > QD63 Extraction |
| Divisions: | Faculty of Science and Data Analytics (SCIENTICS) > Chemistry > 47201-(S1) Undergraduate Thesis |
| Depositing User: | Aiko Kansha Barjera |
| Date Deposited: | 04 Aug 2025 03:07 |
| Last Modified: | 04 Aug 2025 03:07 |
| URI: | http://repository.its.ac.id/id/eprint/126479 |
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