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Integrasi Studi In silico dan Bioinformatik Untuk Mendapatkan Senyawa Antidiabetes Dari Tanaman Salam (Syzygium polyanthum) Dengan Target Enzim Pancreatic α-Amilase dan α-Glukosidase
Pengarang : M Buffon Sabana Galih Tirta, Eko Mugiyanto
Kata Kunci   :ADMET, diabetes, docking molekular, Syzygium polyanthum, α-amylase

Diabetes melitus adalah penyakit metabolik kronis yang menimbulkan komplikasi serius dan membutuhkan terapi yang efektif. Penelitian ini bertujuan mengidentifikasi senyawa bioaktif dari daun salam (Syzygium polyanthum) sebagai calon inhibitor enzim pancreatic α-amylase dan α-glukosidase menggunakan pendekatan in silico. Metode yang diterapkan meliputi pemodelan molekuler dengan docking senyawa hasil penelitian GC-MS terhadap enzim pancreatic α-amylase dan α-glukosidase, dilanjutkan dengan analisis profil farmakokinetik dan toksisitas (ADMET) secara komputasional menggunakan SwissADME dan pkCSM. Data yang diperoleh mencakup nilai Root Mean Square Deviation (RMSD) rata-rata <2 Å yang menunjukkan validitas pose docking, nilai binding affinity negatif, serta parameter Rule of Five Lipinski yang terpenuhi seperti berat molekul <500 Da, logP <5, donor hidrogen ≤5, dan akseptor hidrogen ≤10. Prediksi absorbsi >30% menunjukkan daya serap baik, distribusi jaringan dengan nilai >0,45, dan hepatotoksisitas negatif. Secara spesifik, hasil penelitian menunjukkan β-Sitosterol, α-Tocopherol, dan β-Tocopherol sebagai kandidat terbaik. β-Sitosterol memiliki afinitas pengikatan tertinggi terhadap α-glukosidase (-9,882 kcal/mol), mengungguli kontrol acarbose (-8,682 kcal/mol). Interaksi ligan didominasi oleh gaya hidrofobik. Secara farmakokinetik, ketiga senyawa memiliki absorpsi usus sangat tinggi (>89%) dan tidak menghambat CYP3A4, menjadikannya jauh lebih unggul untuk calon obat dibandingkan acarbose yang bersifat hidrofilik. Kesimpulannya, β-Sitosterol merupakan kandidat inhibitor antidiabetes oral paling potensial dari daun salam dengan efektivitas dan profil keamanan yang sangat baik
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