Electronic Theses and Dissertation

Diabetes melitus tipe 2 (dmt2) merupakan penyakit metabolik kronis yang ditandai oleh resistensi insulin dan gangguan sekresi insulin. pengembangan kandidat obat antidiabetes berbasis bahan alam menjadi alternatif yang menjanjikan karena memiliki mekanisme kerja multitarget dan efek samping yang relatif rendah. cempaka kuning (magnolia champaca l.) diketahui mengandung berbagai senyawa bioaktif yang berpotensi sebagai antidiabetes, namun mekanisme molekulernya masih belum banyak dieksplorasi. penelitian ini bertujuan untuk mengidentifikasi profil senyawa aktif ekstrak metanol daun cempaka kuning serta mengevaluasi potensinya sebagai kandidat antidiabetes melalui pendekatan in silico. profil senyawa aktif dianalisis menggunakan gas chromatography-mass spectrometry (gc-ms), kemudian diseleksi berdasarkan parameter fisikokimia, farmakokinetik, dan toksisitas melalui analisis admet. senyawa yang memenuhi kriteria selanjutnya dianalisis menggunakan network pharmacology dan molecular docking. hasil gc-ms berhasil mengidentifikasi 16 senyawa aktif, namun hanya 11 senyawa yang memenuhi kriteria untuk analisis. analisis network pharmacology menunjukkan bahwa senyawa aktif ekstrak metanol daun cempaka kuning berpotensi sebagai antidiabetes melalui penghambatan protein gsk3b yang berperan dalam regulasi jalur pensinyalan insulin. hasil molecular docking mengidentifikasi tiga senyawa dengan potensi antidiabetes terbaik, yaitu aspidospermidin-17-ol,1-acetyl-19,21-epoxy-15,16-dimethoxy-,[1,1'-bicyclopropyl] -2-octanoic acid,2'-hexyl-, methyl ester, dan 1h-cycloprop[e]azulen-7-ol,decahydro-1,1,7-trimethyl-4-methylene-,[1ar(1aα,4aα,7β,7aβ,7bα)]-. ketiga senyawa tersebut dipilih berdasarkan nilai binding affinity terendah, kesamaan residu asam amino tertinggi terhadap ligan kontrol, serta kesamaan pola interaksi ikatan hidrogen dan interaksi nonkovalen lainnya. hasil penelitian ini menunjukkan bahwa ekstrak metanol daun cempaka kuning berpotensi dikembangkan sebagai kandidat antidiabetes berbasis bahan alam.

Type 2 diabetes mellitus (T2DM) is a chronic metabolic disorder characterized by insulin resistance and impaired insulin secretion. The development of plant-based antidiabetic drug candidates has attracted considerable attention due to their multitarget mechanisms of action and relatively low side effects. Magnolia champaca L. is known to contain various bioactive compounds with potential antidiabetic properties; however, its underlying molecular mechanisms remain poorly understood. This study aimed to identify the active compounds present in the methanolic leaf extract of M. champaca and evaluate their antidiabetic potential using an in silico approach. Active compounds were profiled using Gas Chromatography–Mass Spectrometry (GC-MS) and subsequently screened based on physicochemical, pharmacokinetic, and toxicity parameters through ADMET analysis. Compounds that met the screening criteria were further analyzed using network pharmacology and molecular docking. GC-MS analysis identified 16 active compounds, of which 11 passed the ADMET screening and were selected for further investigation. Network pharmacology analysis indicated that the active compounds of M. champaca methanolic leaf extract may exert antidiabetic effects through inhibition of glycogen synthase kinase 3 beta (GSK3B), a key regulator of the insulin signaling pathway. Molecular docking analysis identified three compounds with the highest antidiabetic potential: Aspidospermidin-17-ol,1-acetyl-19,21-epoxy-15,16-dimethoxy-, [1,1'-Bicyclopropyl]-2-octanoic acid,2'-hexyl-, methyl ester, and 1H-Cycloprop[e]azulen-7-ol,decahydro-1,1,7-trimethyl-4-methylene-,[1aR(1aα,4aα,7β,7aβ,7bα)]-. These compounds were selected based on their lowest binding affinity values, highest similarity of amino acid residues to the control ligand, and comparable hydrogen-bonding and non-covalent interaction patterns. These findings suggest that M. champaca methanolic leaf extract possesses promising potential as a natural source of antidiabetic agents.