Obat kimia sintetis yang saat ini dijual secara komersial relatif mahal dan efek samping yang dirasakan konsumen menyebabkan masyarakat cenderung memanfaatkan tanaman herbal dalam pengobatan penyakit. Zodia (Evodia suaveolens) merupakan tanaman endemik Indonesia yang belum banyak dimanfaatkan dalam pengobatan herbal, namun diyakini memiliki potensi sebagai antikaner. Kandungan senyawa squalene dalam zodia diketahui memiliki aktivitas terhadap reseptor target terapi kanker paru-paru (EGFR) dan kanker payudara (HER-2). Penelitian ini bertujuan untuk mendeskripsikan efektivitas dan bioaktivitas senyawa squalene dari ekstrak daun E. suaveolens terhadap reseptor EGFR dan HER-2 secara in silico. Metode penelitian dilakukan dengan molecular docking, meliputi sterilisasi makromolekul reseptor, minimasi molekul senyawa, uji molecular docking, dan visualisasi hasil penambatan molekul. Hasil uji menunjukkan efektivitas senyawa squalene dari ekstrak daun E. suaveolens sebagai antikanker secara in silico melalui penambatan molekul terhadap reseptor EGFR dengan skor binding affinity -6,3 kcal/mol; RMSD 1,932 Å dan penambatan molekul terhadap reseptor HER-2 dengan skor binding affinity -7,3 kcal/mol; RMSD 1,943 Å. Senyawa squalene memiliki bioaktivitas terhadap protein EGFR dan HER-2 sebagai antikanker paru-paru dan antikanker payudara melalui penghambatan proliferasi, penghambatan angiogenesis, serta penghambatan migrasi, adhesi, dan invasi sel kanker.
Synthetic chemical drugs that are currently sold commercially are relatively expensive. Moreover, it causes side effects which makes consumers tend to use herbal plants in the treatment of diseases. Zodia (Evodia suaveolens) is an Indonesian endemic plant that has not been widely used in herbal medicine, but is believed to have potential as anticancer. The content of squalene compound in zodia is known to have activity toward the target receptor for lung cancer (EGFR) and breast cancer (HER-2) therapy. This study aims to describe the effectiveness and bioactivity of squalene compound from E. suaveolens leaf extracts against EGFR and HER-2 receptors as in silico. The research method was carried out with molecular docking, including sterilization of receptor macromolecules, minimization of compound molecules, molecular docking tests, and visualization of molecular docking results. The test results showed the effectiveness of squalene compounds from E. suaveolens leaf extracts as anticancer as in silico through molecular docking toward EGFR receptors with an affinity binding score of -6.3 kcal/mol; RMSD 1,932 Å and molecular docking toward HER-2 receptors with affinity binding scores -7.3 kcal/mol; RMSD 1,943 Å. Squalene compound has bioactivity to EGFR and HER-2 proteins as lung anticancer and breast anticancer through inhibition of proliferation, inhibition of angiogenesis, and inhibition of migration, adhesion, and invasion of cancer cells.