Analisis In Silico Aktivitas Derivat Asam Kafeat Ekinase (Echinacea purpurea (L). Moench.) terhadap Dipeptidyl Peptidase-IV
Date
2022-09-22Author
Anugerah, Tata
Puspita, Puspa Julistia
Ambarsari, Laksmi
Metadata
Show full item recordAbstract
Kasus diabetes mellitus (DM) telah menjadi masalah kesehatan global,
terutama DM tipe II. Salah satu pengobatan DM tipe II yang menarik diteliti ialah
inhibitor dipeptidil peptidase-IV (DPP-IV) karena perannya meningkatkan sekresi
insulin dan proliferasi sel β-pankreas. Tanaman ekinase (Echinacea purpurea (L).
Moench.) telah banyak dimanfaatkan sebagai obat herbal, mengandung asam kafeat
dan derivatnya yang memiliki aktivitas antidiabetes. Penelitian ini bertujuan
menganalisis interaksi molekuler serta hubungan struktur terhadap potensi inhibisi
derivat asam kafeat ekinase terhadap aktivitas DPP-IV melalui kajian in silico
menggunakan YASARA Structure. Gosogliptin (Pf2) digunakan sebagai ligan
native dan sitagliptin sebagai pembanding. Ligan-ligan uji dengan potensi inhibisi
tertinggi hingga terendah antara lain echinacoside, asam sikorat, cynarine,
acteoside, asam klorogenat, asam kaftarat, asam isoklorogenat, dan asam kafeat.
Echinacoside yang merupakan senyawa penciri ekinase menjadi ligan uji terbaik
sebagai inhibitor DPP-IV dengan energi bebas ikatan -9.731 kkal/mol, namun
kurang baik sebagai obat oral. Asam sikorat merupakan ligan terbaik yang dapat
menjadi alternatif obat oral dalam pengobatan DM tipe II. Diabetes mellitus case has become a global health problem, especially the
type II. One of the most interesting treatments for type II DM is dipeptidyl
peptidase-IV (DPP-IV) inhibitors which promote insulin secretion and proliferation
pancreatic β cells. Ekinase (Echinacea purpurea (L). Moench.), which have been
utilized as a herbal medication, contain caffeic acid and derivatives compound that
has antidiabetic activity. This research is aimed to analyze molecular interactions
and structural relationship to the inhibition potency of caffeic acid and derivatives
against DPP-IV activity using docking simulation with YASARA Structure.
Gosogliptin (Pf2) was used as native ligand and sitagliptin as comparator. Test
ligands with the highest to lowest inhibition potency are echinacoside, chicoric acid,
cynarine, acteoside, chlorogenic acid, caftaric acid, isochlorogenic acid, and caffeic
acid. Echinacoside is the characteristic compound from echinacea, becomes the
most potent DPP-IV inhibitor which shows -9.731 kcal/mol on affinity energy, but
not recommended as oral drug. Chicoric acid is the best ligand that can be an
alternative treatment as oral drug for type II of DM.
Collections
- UT - Biochemistry [1063]