Uji Aktivitas Sitotoksik Daun Benalu Jeruk (Dendrophthoe glabrescens) terhadap Garis Sel Kanker Payudara: Studi In Silico -
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Penelitian ini bertujuan untuk menyelidiki potensi senyawa fitokimia dari daun benalu jeruk (Dendrophthoe glabrescens) sebagai kandidat antikanker melalui pendekatan in silico. Senyawa fitokimia diidentifikasi menggunakan LC-MS dan disaring berdasarkan Aturan Lima Lipinski. Selanjutnya, dilakukan prediksi absorpsi, distribusi, metabolisme, ekskresi, dan toksisitas (ADMET) menggunakan ProTox-3.0. Protokol penambatan molekular divalidasi dengan nilai root mean square deviation (RMSD) sebesar 1,80 Å untuk reseptor faktor pertumbuhan epidermal (epidermal growth factor receptor/EGFR) (PDB ID: 1M17) dan 0,69 Å untuk reseptor estrogen-α (ER-α) (PDB ID: 1A52). Tenilidon menunjukkan afinitas pengikatan terkuat terhadap EGFR (-8,12 kkal/mol), diikuti oleh kuersetin (−7,48 kkal/mol) dan kaempferol (−7,43 kkal/mol). Untuk reseptor estrogen alfa, fisetin menunjukkan afinitas terkuat di antara senyawa D. glabrescens yang diuji (−8,21 kkal/mol), diikuti oleh nomelidin (−8,16 kkal/mol) dan tenilidon (−7,95 kkal/mol). Kaempferol menunjukkan profil toksisitas akut terbaik di antara senyawa unggulan, dengan perkiraan LD50 sebesar 3919 mg/kg dan kelas toksisitas 5. Secara keseluruhan, tenilidon dan fisetin diprioritaskan masing-masing untuk reseptor faktor pertumbuhan epidermal dan reseptor estrogen alfa, sedangkan kaempferol menunjukkan profil keamanan yang baik berdasarkan prediksi.
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