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All Journal El-Hayah : Jurnal Biologi Biota: Jurnal Ilmiah Ilmu-Ilmu Hayati Biogenesis: Jurnal Ilmiah Biologi
Krisnamurti, Gabriella Candrakirana
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Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Environmental Science Immunology & microbiology Medicine & Pharmacology

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Prediksi Asam Kuinat Sebagai Anti-Inflamasi Terhadap COX-2 Secara Virtual Bare, Yohanes; Kuki, Agustina Dua; Rophi, Apriani Herni; Krisnamurti, Gabriella Candrakirana; Lorenza, Margaretha Rika Wahyu Gabrella; Sari, Dewi Ratih Tirto
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 | Full PDF (544.212 KB) | 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.
In Silico Study: Prediction the Potential of Caffeic Acid As ACE inhibitor Bare, Yohanes; Kuki, Agustina Dua; Daeng Tiring, Sri Sulistyaningsih Natalia; Rophi, Apriani Herni; Krisnamurti, Gabriella Candrakirana; Tirto Sari, Dewi Ratih
El-Hayah : Jurnal Biologi Vol 7, No 3 (2019): EL-HAYAH (VOL 7, NO 3 SEPTEMBER 2019)
Publisher : Department of Biology Science and Technology Faculty UIN Maulana Malik Ibrahim Malang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.18860/elha.v7i3.10053

Abstract

Hypertension is an abnormal increase in blood pressure. Regulating blood and cardiovascular function have correlated with the ACE pathway. To decrease blood pressure can use the ACE inhibitor. This paper aims to predict potential of Caffeic Acid as anti-hypertension by blocking the ACE pathway. The method in this research used in silico study. The protein was obtained from Protein Data Bank (PDB) and the ligand was obtained from PubChem. Molecular docking was performed by using HEX and visualization analysis was analyzed by using Discovery Studio. The interaction of caffeic acid and ACE has a functional as anti-hypertension roles. The evidence by twelve amino acid, which bind with the caffeic acid (ASP377, ASN277, ASN285, GLU376, ALA170, ASN167, ASN374, THR372, THR166, CYS370, GLU162 and PRO163). The chemistry bond was formed are hydrogen bond, van der Waals and electrostatics in amino residue ASP377. This binding could stop the synthesis of AT-I to AT-II which pathway to hypertension. Caffeic acid has a potential role as anti-hypertension by inhibiting ACE.
In Silico Insight the Prediction of Chlorogenic Acid in Coffee through Cyclooxygenase-2 (COX2) Interaction Bare, Yohanes; Sari, Dewi Ratih Tirto; Rachmad, Yoga Tribakti; Krisnamurti, Gabriella Candrakirana; Elizabeth, Agustina; Maulidi, Andri
Biogenesis: Jurnal Ilmiah Biologi Vol 7 No 2 (2019)
Publisher : Department of Biology, Faculty of Sci and Tech, Universitas Islam Negeri Alauddin Makassar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24252/bio.v7i2.9847

Abstract

Inflammation was signs of pathological or abnormality in tissue to give an alert as a trouble signal to the system. Therapeutic using NSAIDs has some side effects. This research explored the potential role of chlorogenic acid as natural therapeutic compound to inhibit the inflammation target such as COX-2 by interaction model. The research method used in this study was the molecular docking approach, which binds ligand and protein. Protein data provided by Protein Data Bank (ID: 6cox) while, chlorogenic acid obtain from PubChem (CID: 1794427). We docked COX-2 and chlorogenic acid using Hex 8.0.0. Visualization and analysis of the molecular interactions of chlorogenic acid and COX-2 conducted by the Discovery Studio Client 4.1 software. Chlorogenic acid has a high permeability and is easily absorbed based on five Lipinski Rule. Interestingly, we found Fifteen amino acid was binding with chlorogenic acid that formed by hydrogen bond and van der Waals.The interaction between ligand-protein results in energy binding -327.59cal/mol. Chlorogenic acid has a potential role to inhibit inflammation pathway by inhibiting COX-2. We predicted chlorogenic acid has a potential as therapy anti-inflammatory to suppress COX-2 as mediator inflammation.
Co-Authors Agustina Elizabeth Andri Maulidi Apriani Herni Rophi Bare, Yohanes Daeng Tiring, Sri Sulistyaningsih Natalia Kuki, Agustina Dua Lorenza, Margaretha Rika Wahyu Gabrella Rachmad, Yoga Tribakti Sari, Dewi Ratih Tirto