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All Journal Biota: Jurnal Ilmiah Ilmu-Ilmu Hayati Jurnal Saintek Lahan Kering
Dewi Ratih Tirto Sari
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Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Computer Science & IT Public Health

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Prediksi Asam Kuinat Sebagai Anti-Inflamasi Terhadap COX-2 Secara Virtual Yohanes Bare; Agustina Dua Kuki; Apriani Herni Rophi; Gabriella Candrakirana Krisnamurti; Margaretha Rika Wahyu Gabrella Lorenza; Dewi Ratih Tirto Sari
Biota : Jurnal Ilmiah Ilmu-Ilmu Hayati Vol 4, No 3 (2019): October 2019
Publisher : Universitas Atma Jaya Yogyakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24002/biota.v4i3.2516

Abstract

Inflamasi merupakan mekanisme pertahanan tubuh terhadap terhadap rangsangan berbahaya, seperti patogen, sel-sel yang rusak, senyawa beracun, atau iradiasi. Selama inflamasi dalam tubuh terdapat COX-2 mediator inflamasi yang peran meningkatkan inflamasi.  Sistem imun anti-inflamasi yang mengalami mutasi menyebabkan inflmasi meningkat. Oleh karena itu untuk menurnkannya menggunakan bioaktif alam. Asam kuinat memiliki toksisitas yang sangat rendah dan tidak memberikan efek negatif terhadap organ tubuh manusia. Asam kuinat memiliki potensi yang besar sebagai kandidat obat tertinggi dalam terapi. Akan tetapi kurangnya kajiannya. Penelitian ini bertujuan unutk memprediksi potensi serta menganalisis asam kuinat sebagai agen inflamasi dengan cara menghambat COX-2. Metode yang digunakan terdiri atas pengunduhan protein COX-2 dari protein data bank (PDB) dan asam kuinat diperoleh dari database PubChem, persiapan protein (COX-2) dan ligan (asam Kuinat) dengan program PyRx, analisis interaksi protein dan ligan menggunakan program Hex 8.0.0 dan Discovery Studio client 4.  Interaksi antara protein dan ligan menunjukan hasil positif dengan ditemukan 2 domain protein yang berikatan dengan asam kuinat. Protein domain A (GLU140, ASN144, SER143, dan TRP139) dan protein domain B (GLU236, THR237, LYS333, GLN241, GLN330, PHE329, dan LEU238). Ikatan yang terbentuk ada ikatan hidrogen dengan energi sebesar -198.95cal/mol. Asam kuinat diprediksi memiliki potensi sebagai terapi anti-inflamasi, hal ini ditunjukan karena ada ikatan yang terbentuk antara ligan dan 11 residu asam amino.
Potensi Asam kafeat pada Kopi sebagai Simultan Gen Peroxixme proliferator-activated receptor gamma (PPAR-γ): Studi In silico Yohanes Bare; Maria Helvina; Agustina Elizabeth; Dewi Ratih Tirto Sari
Saintek Lahan Kering Vol 2 No 2 (2019): JSLK Desember 2019
Publisher : Fakultas Pertanian, Universitas Timor

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (292.857 KB) | DOI: 10.32938/slk.v2i2.866

Abstract

Coffee plants are one of the cultivated plants of the Sikka Regency community. Coffee contains chemical compounds which is needed by humans. One of them is cafeic acid. Cafeic acid was recognized as having the potential as an anti-inflammatory, antioxidant, and healing type 2 diabetes mellitus (T2DM). The Peroxixme proliferator-activated receptor gamma gene (PPAR-γ) has a role in homeostasis regulation, so it can be used as hyperglycemia. But do not study on the interaction of cafeic acid as anti-diabetes molecularly. The purpose of this study was to analyze and predict the physico-chemical properties and potency of cafeic acid as anti-diabetes through the interaction of cafeic acid with PPAR- γ protein in silico. The method used consisted of downloading PPAR-γ protein through protein bank data (GDP) and cafeic acid through the PubChem database, protein preparation (PPAR-γ) and ligands (cafeic acid) with the PyRx program, protein analysis and ligand using the program using the Hex program 8.0 .0 and Discovery Studio V16.1.0.15360. The results showed that occur between cafeic acid and PPAR-γ show the role of anti-diabetes. This is evidenced by the presence of 11 amino acid residues (ASP441, LYS373, ASP396, LYS438, GLU407, PRO398, GLY399, ARG397, LEU400, GLY395, VAL403) which interacted with the chlorogenic acids and their energies of -168.5cal/mol. This function activates GLUT2 and GLUT4 as transportation routes inside and outside the cell. Caffeic acid is predicted to have potential as a natural ingredient in coffee which can be used for DMT2 therapy with genetic care (Nurtigenetics). We suggest further study is required in vivo experiment.
Co-Authors Agustina Elizabeth Apriani Herni Rophi Bare, Yohanes Gabriella Candrakirana Krisnamurti Kuki, Agustina Dua Margaretha Rika Wahyu Gabrella Lorenza Maria Helvina