Studi Literatur Molecular Docking Senyawa Flavonoid Terhadap Peran Enzim CYP3A4

Mahirah Mardiyah; Dessylva Maulud; Moch Alif Haqi; M. Brilyan Nurul Firdaus; Linda Nur Rahmawati; Laila Meirin Azzahra; Mery Anjani; Linda Purnama Sari; Maharani Chyntia Dwiandati; Lubna Khairunisa; Muhamad Iqbal Rhamadianto

doi:10.30591/pjif.v14i3.9162

Studi Literatur Molecular Docking Senyawa Flavonoid Terhadap Peran Enzim CYP3A4

Mahirah Mardiyah, Dessylva Maulud, Moch Alif Haqi, M. Brilyan Nurul Firdaus, Linda Nur Rahmawati, Laila Meirin Azzahra, Mery Anjani, Linda Purnama Sari, Maharani Chyntia Dwiandati, Lubna Khairunisa, Muhamad Iqbal Rhamadianto

Abstract

Flavonoid merupakan metabolit yang dihasilkan dari senyawa dalam tumbuhan, Flavonoid adalah turunan dari 2-fenil-benzil-γ-piron. Enzim CYP merupakan kumpulan enzim yang mengandung heme serta memiliki peran penting dalam proses metabolisme obat dan xenobiotik lainnya (biotransformasi fase I). Tujuan studi literatur ini untuk mengidentifikasi dan mengkaji enzim peran CYP3A4 dalam proses inhibisi atau induksi secara molekuler docking melalui penggunaan senyawa flavonoid. Riset ini menggunakan metode studi literatur untuk mengumpulkan, menganalisis, dan mensintesis informasi dari penelitian sebelumnya. Hasil penelitian menunjukkan bahwa senyawa 3,8″-biapigenin memiliki aktivitas paling kuat dengan nilai IC50 sebesar 0,08 μM, didukung oleh jumlah donor dan akseptor ikatan hidrogen yang tinggi serta energi bebas ikatan yang rendah. Berdasarkan analisis aturan Lipinski, baicalein dan chrysin memiliki jumlah H donor dan akseptor yang rendah sehingga diprediksi memiliki permeabilitas dan penyerapan yang baik. Konformasi enzim CYP3A4 dengan senyawa flavonoid terbaik terdapat pada naringin dengan energi bebas ikatan -65,8 kkal/mol, menunjukkan kekuatan ikatan yang sangat kuat antara flavonoid dan CYP3A4. Dapat disimpulkan, senyawa 3,8”-biapigenin, chrystin, baicalein, dan naringin direkomendasikan sebagai kandidat pengembangan obat baru.

Keywords

Molecular docking, CYP3A4, Flavonoid

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DOI: https://doi.org/10.30591/pjif.v14i3.9162