POTENSI SENYAWA AKTIF Chromolaena. odorata (L.) R.M. King & H. Rob SEBAGAI INHIBITOR VEGFR-2 PADA KANKER PARU: STUDI IN SILICO SERTA IMPLEMENTASINYA SEBAGAI POSTER EDUKASI

Sitinjak, Rivaldi (2026) POTENSI SENYAWA AKTIF Chromolaena. odorata (L.) R.M. King & H. Rob SEBAGAI INHIBITOR VEGFR-2 PADA KANKER PARU: STUDI IN SILICO SERTA IMPLEMENTASINYA SEBAGAI POSTER EDUKASI. S1 thesis, Universitas Kristen Indonesia.

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Abstract

Penelitian in silico berbasis molecular docking banyak digunakan untuk mengidentifikasi kandidat senyawa antikanker secara efisien, namun pemanfaatan hasil penelitian tersebut sebagai media pembelajaran bioteknologi di tingkat sekolah menengah masih terbatas. Kondisi ini menunjukkan adanya kesenjangan antara tujuan penelitian murni yang berfokus pada penemuan kandidat obat dan tujuan pendidikan yang berorientasi pada peningkatan pemahaman konsep dan literasi sains peserta didik. Penelitian ini bertujuan untuk menganalisis potensi senyawa aktif Chromolaena odorata L. sebagai inhibitor VEGFR-2 pada kanker paru melalui pendekatan in silico serta mengimplementasikan hasil penelitian sebagai poster edukasi molecular docking. Penelitian ini menggunakan metode in silico dengan molecular docking antara tujuh senyawa uji dan reseptor VEGFR-2 menggunakan AutoDock Vina melalui PyRx dengan lima kali pengulangan. Analisis interaksi ligan–reseptor dilakukan menggunakan Discovery Studio Visualizer dan PyMOL. Pengembangan media pembelajaran dilakukan menggunakan pendekatan Research and Development melalui validasi ahli dan uji persepsi siswa SMA. Hasil molecular docking menunjukkan bahwa senyawa flavonoid aglikon memiliki afinitas ikatan yang kuat terhadap VEGFR-2. Senyawa Luteolin menunjukkan nilai binding affinity rata-rata paling rendah sebesar −8,74 kcal/mol, diikuti oleh (±)-Naringenin sebesar −8,42 kcal/mol, Hesperetin sebesar −8,32 kcal/mol, dan (±)-Taxifolin sebesar −8,16 kcal/mol. Nilai tersebut lebih baik atau sebanding dengan kontrol positif Axitinib yang memiliki nilai binding affinity rata-rata sebesar −7,98 kcal/mol. Poster edukasi molecular docking memperoleh persepsi positif dari siswa dengan nilai rata-rata total sebesar 77,17%. Penelitian ini merekomendasikan pengujian lanjutan secara eksperimental serta pengembangan media pembelajaran bioteknologi berbasis in silico di tingkat sekolah menengah./In silico research based on molecular docking is widely used to efficiently identify anticancer compound candidates, but the use of these research results as a medium for biotechnology education at the high school level is still limited. This condition shows a gap between the objectives of pure research, which focuses on discovering drug candidates, and educational objectives, which are oriented toward improving students' understanding of concepts and science literacy. This study aims to analyze the potential of Chromolaena odorata L. active compounds as VEGFR-2 inhibitors in lung cancer through an in silico approach and to implement the research results as a molecular docking educational poster. This study used an in silico method with molecular docking between seven test compounds and the VEGFR-2 receptor using AutoDock Vina through PyRx with five repetitions. Ligand-receptor interaction analysis was performed using Discovery Studio Visualizer and PyMOL. The development of learning media was carried out using a Research and Development approach through expert validation and high school student perception tests. Molecular docking results showed that aglycone flavonoid compounds had a strong binding affinity to VEGFR-2. The Luteolin compound showed the lowest average binding affinity value of −8.74 kcal/mol, followed by (±)-Naringenin at −8.42 kcal/mol, Hesperetin at −8.32 kcal/mol, and (±)-Taxifolin at −8.16 kcal/mol. These values are better than or comparable to the positive control Axitinib, which has an average binding affinity value of −7.98 kcal/mol. The molecular docking educational poster received positive feedback from students, with an average total score of 77.17%. This study recommends further experimental testing and the development of in silico-based biotechnology learning media at the secondary school level.

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