Electronic Theses and Dissertation

Kayu barus (Dryobalanops aromatica) merupakan tanaman asli Indonesia yang
menghasilkan minyak atsiri kaya senyawa bioaktif, terutama golongan terpenoid dan
turunannya. Minyak atsiri kayu barus diketahui memiliki berbagai aktivitas
farmakologi, seperti antioksidan, antimikroba, antiinflamasi, dan antikanker. Potensi
tersebut menjadikan minyak atsiri D. aromatica menarik untuk dikembangkan sebagai
sumber kandidat antikanker, khususnya terhadap kanker kolorektal yang masih
menjadi salah satu penyebab utama kematian akibat kanker di dunia. Penelitian ini
bertujuan mengidentifikasi senyawa bioaktif minyak atsiri D. aromatica menggunakan
Gas Chromatography–Mass Spectrometry (GC-MS), memprediksi target molekuler
yang terkait dengan kanker kolorektal melalui pendekatan network pharmacology,
serta mengevaluasi interaksi senyawa aktif dengan protein target menggunakan
molecular docking. Hasil GC-MS mengidentifikasi 31 senyawa yang kemudian
diseleksi berdasarkan keberadaan kode SMILES, Similarity index >90%, dan kelas
ProTox IV–VI. Analisis network pharmacology mengidentifikasi enam protein target
utama, yaitu MAPK3, KDR, ERBB2, EGFR, JAK2, dan AKT1. Analisis Gene
Ontology (GO) menunjukkan keterlibatan target pada proliferasi sel, fosforilasi
protein, angiogenesis, dan respons terhadap faktor pertumbuhan, sedangkan analisis
KEGG mengindikasikan jalur PI3K-Akt sebagai jalur pensinyalan utama dalam
perkembangan kanker kolorektal. Hasil molecular docking menunjukkan seluruh
senyawa uji mampu berinteraksi dengan protein target, dengan caryophyllenyl alcohol
menunjukkan afinitas terbaik terhadap seluruh protein target. Temuan ini
menunjukkan bahwa minyak atsiri D. aromatica berpotensi sebagai kandidat
antikanker kolorektal melalui mekanisme multitarget yang memodulasi jalur PI3K
Akt.
Kata Kunci: Dryobalanops aromatica, kanker kolorektal, network pharmacology,
molecular docking, PI3K-Akt

Camphor tree (Dryobalanops aromatica) is an indigenous Indonesian plant that produces essential oil rich in bioactive compounds, particularly terpenoids and their derivatives. The essential oil of the camphor tree has been reported to exhibit various pharmacological activities, including antioxidant, antimicrobial, anti-inflammatory, and anticancer properties. These potentials make D. aromatica essential oil a promising source of anticancer candidates, particularly against colorectal cancer, which remains one of the leading causes of cancer-related mortality worldwide. This study aimed to identify the bioactive compounds present in D. aromatica essential oil using Gas Chromatography–Mass Spectrometry (GC-MS), predict molecular targets associated with colorectal cancer through a network pharmacology approach, and evaluate the interactions of active compounds with target proteins using molecular docking. GC-MS analysis identified 31 compounds, which were subsequently selected based on the presence of SMILES codes, a similarity index of >90%, and ProTox classes IV–VI. Network pharmacology analysis identified six major target proteins associated with colorectal cancer, namely MAPK3, KDR, ERBB2, EGFR, JAK2, and AKT1. Gene Ontology (GO) analysis indicated the involvement of these targets in cell proliferation, protein phosphorylation, angiogenesis, and responses to growth factors, whereas KEGG analysis revealed the PI3K-Akt signaling pathway as the principal pathway involved in colorectal cancer progression. Molecular docking results demonstrated that all tested compounds were able to interact with the target proteins, with caryophyllenyl alcohol exhibiting the highest binding affinity toward all target proteins. These findings suggest that D. aromatica essential oil has potential as a candidate for colorectal cancer therapy through a multitarget mechanism involving modulation of the PI3K-Akt signaling pathway. Keywords: Dryobalanops aromatica, colorectal cancer, network pharmacology, molecular docking, PI3K-Akt