INTERAKSI MOLEKULER INHIBITOR DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DARI PROTEIN SUSU KAMBING SECARA IN SILICO SEBAGAI KANDIDAT ANTIDIABETES
Abstract
Dipeptidyl peptidase-IV (DPP-IV) merupakan salah satu target dalam pengobatan diabetes tipe-2. Beberapa obat golongan gliptin yang tersedia secara komersial seperti sitagliptin, anagliptin, linagliptin, saxagliptin, dan alogliptin secara khusus digunakan sebagai inhibitor DPP-IV untuk pasien diabetes. Saat ini, penggunaan peptida pada protein susu kambing untuk mengobati diabetes telah dilaporkan dalam berbagai percobaan in vitro. Namun, pemahaman tentang interaksi molekuler penghambatan peptida tersebut terhadap DPP-IV masih kurang. Penelitian ini bertujuan untuk melakukan identifikasi, evaluasi, dan eksplorasi mengenai afinitas beberapa molekul peptida tersebut, yaitu MHQPPQPL, SPTVMFPPQSVL, VMFPPQSVL, INNQFLPYPY, dan AWPQYL terhadap makromolekul DPP-IV dengan menggunakan simulasi penambatan molekuler berbasis protein-peptida. Sekuensing peptida terlebih dahulu dilakukan pemodelan dengan menggunakan server PEP-FOLD. Konformasi terbaik dipilih untuk dilakukan studi interaksi terhadap makromolekul DPP-IV dengan menggunakan software HPEPDock. Identifikasi lebih lanjut dilakukan terhadap interaksi molekuler yang terbentuk dengan menggunakan software BIOVIA Discovery Studio 2020. Berdasarkan hasil dari penambatan molekuler berbasis protein-peptida diperoleh bahwa molekul peptida INNQFLPYPY memiliki afinitas yang paling baik terhadap makromolekul DPP-IV, yaitu dengan nilai energi bebas ikatan 923,46 kJ/mol. Dengan demikian, peptida tersebut diprediksi dapat digunakan sebagai kandidat inhibitor DPP-IV.
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DOI: http://dx.doi.org/10.12928/mf.v17i1.16249
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