SINTESIS TURUNAN ASAM USNAT DAN POTENSINYA SEBAGAI INHIBITOR EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) SECARA IN SILICO

HANINA SHAFA HIDAYAT, . (2026) SINTESIS TURUNAN ASAM USNAT DAN POTENSINYA SEBAGAI INHIBITOR EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) SECARA IN SILICO. Sarjana thesis, UNIVERSITAS NEGERI JAKARTA.

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Abstract

Enzim tirosin kinase, Epidermal Growth Factor Receptor (EGFR) memainkan peran penting dalam proliferasi dan kelangsungan hidup sel tumor, sehingga menjadikannya target molekuler utama dalam terapi kanker. Meskipun inhibitor EGFR seperti gefitinib dan erlotinib telah digunakan secara klinis, munculnya resistensi akibat mutasi pada EGFR serta efek samping yang ditimbulkan menyebabkan pengembangan kandidat inhibitor baru masih diperlukan. Asam usnat, turunan dibenzofuran yang melimpah dalam lumut kerak, telah menarik perhatian yang cukup besar karena aktivitas biologisnya yang beragam, termasuk sifat antikanker. Berdasarkan penelitian, tiga belas turunan asam usnat berhasil disintesis melalui reaksi kondensasi dengan amina dan berhasil diidentifikasi menggunakan spektroskopi NMR, FT-IR, dan MS. Senyawa 3, 4, 9, dan 13 merupakan senyawa baru yang berhasil disintesis dan belum pernah dilaporkan sebelumnya dalam penelitian lain. Studi molecular docking terhadap domain tirosin kinase EGFR menunjukkan bahwa senyawa 6, 8, 9, 10, 12 dan 13 memiliki energi ikatan bebas sebesar -8,51 hingga -9,15 kkal/mol, dibandingkan dengan −8,31 kkal/mol untuk erlotinib sebagai kontrol positif. Namun, hasil molecular docking ini masih bersifat prediktif sehingga perlu divalidasi lebih lanjut melalui uji inhibisi enzimatik EGFR dan uji sitotoksisitas terhadap sel kanker. ***** The tyrosine kinase enzyme, the Epidermal Growth Factor Receptor (EGFR), plays a crucial role in the proliferation and survival of tumor cells, making it a primary molecular target in cancer therapy. Although EGFR inhibitors such as gefitinib and erlotinib have been used clinically, the emergence of resistance due to mutations in EGFR, as well as the resulting side effects, necessitates the development of new inhibitor candidates. Usnic acid, a dibenzofuran derivative abundant in lichen, has attracted considerable attention due to its diverse biological activities, including anticancer properties. In this study, thirteen usnic acid derivatives were successfully synthesized via condensation reactions with amines and identified using NMR, FTIR, and MS spectroscopy. Compounds 3, 4, 9, and 13 were new compounds that were successfully synthesized and have not been previously reported in other studies. Molecular docking studies of the EGFR tyrosine kinase domain showed that compounds 6, 8, 9, 10, 12, and 13 had free-energy of binding ranging from −8.51 to −9.15 kcal/mol, compared to −8.31 kcal/mol for erlotinib as the positive control. However, these molecular docking results are still predictive in nature and therefore require further validation through EGFR enzymatic inhibition assays and cytotoxicity assays on cancer cells.

Item Type:	Thesis (Sarjana)
Additional Information:	1). Dr. Fera Kurniadewi, M.Si; 2). Ade Danova, Ph.D.
Subjects:	Sains > Kimia
Divisions:	FMIPA > S1 Kimia
Depositing User:	Hanina Shafa Hidayat .
Date Deposited:	06 Aug 2026 06:19
Last Modified:	06 Aug 2026 06:19
URI:	http://repository.unj.ac.id/id/eprint/68660

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