In Silico Study of Licorice Compounds (Glycyrrhiza inflata BAT.) on PPAR-γ Receptor as Antidiabetic

Roger Rinaldi Nababan, Rahma Emilya Amri, Nabila Qonita Wijaya, Bintang Mutya Abdah, Dhiya’ Ul Haq, Fransisca Widi Pramudita, Diah Lia Aulifa

Abstrak


Diabetes melitus tipe 2 (DMT2) merupakan penyakit metabolik ditandai dengan hiperglikemia kronis akibat resistensi atau kekurangan insulin. Peroxisome proliferator-activated gamma (PPAR-y) adalah reseptor yang berperan pada metabolisme glukosa dan lipid sehingga dapat menjadi target terapi antidiabetes. Penelitian ini bertujuan menguji dan mengevaluasi potensi 18 senyawa kalkon dari Glycyrrhiza inflata Bat. sebagai agonis PPAR-γ melalui pendekatan in silico. Sebagian besar senyawa memenuhi kriteria drug-likeness. Hasil prediksi ADMET menunjukkan 14 senyawa memiliki penyerapan usus yang baik (HIA < 70%) dengan permeabilitas dan toksisitas yang bervariasi. Pemodelan farmakofor menunjukkan senyawa isoliquiritigenin memiliki nilai fit score (42,18) menunjukkan kesesuaian struktur terhadap kantong pengikatan PPAR-y tertinggi sedangkan hasil docking menunjukkan DTM memiliki afinitas pengikatan energi tertinggi. DTM membentuk ikatan hidrogen dan interaksi hidrofobik penting dengan residu asam amino seperti HIS323, TYR473, SER289, dan HIS449.  Temuan ini menunjukkan DTM berpotensi sebagai agonis alami PPAR-y dengan aktivitas antidiabetes yang menjanjikan dan layak diteliti secara in vitro maupun in vivo.

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Referensi


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DOI: https://doi.org/10.24198/ijbp.v5i2.67342

DOI (PDF): https://doi.org/10.24198/ijbp.v5i2.67342.g28008

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