Lukitasari, Maharani (2018) Skrining Virtual Senyawa Antidiabetes Tipe 2 Berbasis Etnofarmakologi. Masters thesis, Institut Teknologi Sepuluh Nopember.
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Abstract
Prevalensi diabetes tipe 2 semakin tahun semakin meningkat. Berbagai obat oral
sudah banyak dikembangkan namun memiliki efek samping yang cukup serius, seperti
resiko gangguan liver dan jantung, bahkan resiko hipoglikemia. Namun, dari sekian
banyak obat oral, inhibitor DPP4 dan SGLT2 diketahui memiliki efek samping minimum
dan rendah resiko hipoglikemia sehingga bagus jika digunakan sebagai obat antidiabetes.
Mengingat diabetes tipe 2 dapat mengakibatkan berbagai macam komplikasi, maka
untukpengobatan perlu dipilih terapi dan pengobatan yang tepat, aman, dan minim efek
samping, yaitu dengan pengobatan berbasis etnofarmakologi atau pengobatan tradisional.
Berbagai macam tanaman obat di Indonesia telah banyak dimanfaatkan sebagai obat
antidiabetes namun belum teruji potensinya secara ilmiah. Maka dari itu, pada penelitian
ini dilakukan skrining virtual menggunakan metode docking molekuler untuk menguji
potensi dan interaksi senyawa bioaktif tanaman etnofarmaka indonesia yang berpotensi
sebagai antidiabetes (SBTEI-AD) melalui penghambatan DPP4 dan SGLT2. Docking
molekuler dilakukan menggunakan metode Vina di PyRx 8.0, dengan ligan 16
SBTEI-AD, protein target DPP4 dan SGLT2, senyawa pembanding sitagliptin dan
canagliflozin. Berdasarkan analisa afinitas ikatan dan interaksi non kovalen hasil
docking molekuler, dari seleksi virtual antara 16 SBTEI-AD diperoleh hasil
bahwa senyawa Rutin dari tumbuhan mengkudu (Morinda citrifolia) merupakan
kandidat senyawa terbaik yang memiliki potensi sebagai obat antidiabetes oral
melalui inhibisi DPP4 dan SGLT2, selain itu Cassiamin C dari tumbuhan Johar
(Cassia siamea) juga memiliki potensi yang sama baiknya dengan mengkudu
dalam penghambatan SGLT2. ==================================================================================================================
The prevalence of type 2 diabetes is increasing every year. Various oral
medications have been widely developed but have serious side effects, such as the
risk of liver and heart disorders, even the risk of hypoglycemia. However, of the
many oral agents, DPP4 and SGLT2 inhibitors are known to have minimal and
low-risk side-effects of hypoglycemia so it has a good efficacy to used as an
antidiabetic drug. Given that type 2 diabetes can lead to a wide range of
complications, it is necessary for treatment to be chosen an appropriate, safe, and
minimal side-effects, with ethnopharmacology-based or traditional medication.
Various medicinal plants in Indonesia have been widely used as an antidiabetic
drug but the potencial have not proven scientifically. Therefore, in this study, a
virtual screening using molecular docking method to test the potential and
interaction of the bioactive compound of Indonesia ethnopharmacy plant which
has potential as antidiabetic (SBTEI-AD) through DPP4 and SGLT2 inhibition.
Molecular docking was performed using Vina method in PyRx 8.0, with 16
SBTEI-AD as ligands, DPP4 and SGLT2 as protein targets, sitagliptin and
canagliflozine as comparing compound. The results of virtual screening, based on
binding affinity analysis and non-covalent interactions (hydrogen bonds and
hydrophobic bonds), among 16 SBTEI-AD, Rutin compound from noni fruit
(Morinda citrifolia) are the best candidate compounds that have potential as oral
antidiabetic drugs through DPP4 inhibition and SGLT2. In addition, Cassiamin C
also have the same potential as Rutin to be SGLT2 inhibitor.
| Item Type: | Thesis (Masters) |
|---|---|
| Uncontrolled Keywords: | Diabetes mellitus; Docking molekuler; DPP-4; Etnofarmakologi; SGLT2. |
| Subjects: | Q Science > Q Science (General) R Medicine > R Medicine (General) T Technology > TP Chemical technology > TP248.3 Biochemical engineering. Bioprocess engineering |
| Divisions: | Faculty of Natural Science > Biology > 46101-(S2) Master Thesis |
| Depositing User: | Maharani Lukitasari |
| Date Deposited: | 03 May 2018 01:57 |
| Last Modified: | 25 Apr 2024 05:33 |
| URI: | http://repository.its.ac.id/id/eprint/51172 |
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