Skrining Virtual Senyawa Antidiabetes Tipe 2 Berbasis Etnofarmakologi

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 Science > Biology > (S2) Master Theses
Depositing User: Maharani Lukitasari
Date Deposited: 03 May 2018 01:57
Last Modified: 03 May 2018 08:48
URI: http://repository.its.ac.id/id/eprint/51172

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