JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA
Vol. 8 No. 3 (2021): JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA

Molecular Docking of Compounds in Moringa oleifera Lam with Dipeptidyl Peptidase-4 Receptors as Antidiabetic Candidates

Indah Permata Rendi (Department of Pharmaceutical Analysis and Medicinal Chemistry, Faculty of Pharmacy, Padjadjaran University, Bandung)
Gabriella Josephine Maranata (Department of Pharmaceutical Analysis and Medicinal Chemistry, Faculty of Pharmacy, Padjadjaran University, Bandung)
Hasna Chaerunisa (Department of Pharmaceutical Analysis and Medicinal Chemistry, Faculty of Pharmacy, Padjadjaran University, Bandung)
Nurulita Nugrahaeni (Universitas Padjadjaran)
Siti Sarah Alfathonah (Department of Pharmaceutical Analysis and Medicinal Chemistry, Faculty of Pharmacy, Padjadjaran University, Bandung)



Article Info

Publish Date
30 Nov 2021

Abstract

Background: Diabetes mellitus (DM) type 2 is a metabolic disorder that needs special attention because it can damage several organs if the severity increases. One of the treatments for diabetes mellitus (DM) type 2 is by inhibiting Dipeptidyl peptidase 4 (DPP-IV) with vildagliptin to prolong the hypoglycemic effect of GLP-1 and GIP. Objective: In the search for candidate compounds as new antidiabetic compounds, an in silico test with molecular docking was carried out to predict the antidiabetic activity of 10 Moringa oleifera Lam (MO) plant compounds at the DPP-IV receptor (PDB ID: 6B1E). Method: The study was conducted using the molecular docking method. Result: Validation of the vildagliptin DPP-IV ligand obtained free energy values of -9.27 kcal/mol and RMSD 1.49 í… (RMSD < 2 í…), then tested with 10 test compounds obtained 8 test compounds that have the potential to be antidiabetic. Conclusion: Serpentine compounds have better potential as an antidiabetic drug than other target compounds because they have the closest Gibbs energy (∆G) value to the natural ligand of Vidaglibtin, which is -7.90 kcal/mol. This value is still lower than the free energy of vildagliptin, which is -9.37 kcal/mol. Therefore further testing is needed to ensure the potential of the compound as a candidate for antidiabetic drugs.

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Journal Info

Abbrev

JFIKI

Publisher

Subject

Chemistry Education Health Professions Medicine & Pharmacology Other

Description

Jurnal ini adalah jurnal peer-review nasional, yang diterbitkan dua kali dalam membahas tentang topik-topik hasil penelitian di bidang pelayanan dan praktik kefarmasian, konsultasi masyarakat, teknologi kefarmasian serta disiplin ilmu kesehatan yang terkait dengan erat. Jurnal ini memfokuskan pada ...