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Journal : Biology, Medicine,

Alliin as a Natural Bioactive from Single Bulb Garlic (Allium sativum) for Nitric Oxide (NO) Increasing in Atherosclerotic Process Based on Insilico Screening Riza Rahayu Ilmawati; Ahya Zhilalikbar Amin; Mohamad Amin
Biology, Medicine, & Natural Product Chemistry Vol 6, No 2 (2017)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (214.921 KB) | DOI: 10.14421/biomedich.2017.62.59-62

Abstract

Atherosclerosis is a chronic inflammatory disease in the arterial wall mediated by proinflammatory factor. Atherosclerosis cause heart disease and stroke is generally believed to be preventable. The single bulb garlic is one of the local plants known as the medicinal plant in Indonesia. Garlic contains alliin compounds as antiatherosclerotic agent. This study aimed to determine the potential of active compound of single bulb garlic as an antioxidant that improve endothelial function by increasing nitric oxide (NO) to increase vasodilation. The bioinformatics webserver used in this study are: Pubchem, Pharmmapper, Swiss Target Prediction, Superpred, Uniprot, and Protein Data Bank. Docking software using PyRx, PyMOL and Discovery Studio. Based on these steps, it was found that alliin interacts with nitric oxide synthase (NOS) through hydrogen and alkyl bonds. Alliin is effective as an inhibitor of NOS based on binding afinity (-5.4 kcal / mol) although no more negative than an aspirin inhibitor based on binding afinity (-6.5 kcal / mol). Based on the docking results, it is found that alliin is effective as a potential drug to decreased atherosclerosis.
Quercetin: the bioactive compound from Allium cepa L. as anti-inflammation based on in silico screening Mohamad Amin; Kurniawan Setia Putra; Ihya Fakhrurizal Amin; Nanda Earlia; Dina Maulina; Betty Lukiati; Umie Lestari
Biology, Medicine, & Natural Product Chemistry Vol 7, No 1 (2018)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (476.812 KB) | DOI: 10.14421/biomedich.2018.71.27-31

Abstract

Inflammation is a tissue injury that occurs due to physical trauma or microbiological substances that involve the activities of many cell types. Inflammation can be prevented using the natural medicines from Allium cepa L. Quercetin is one of the bioactive compounds found in Allium cepa L and has been reported to have anti-inflammatory activity. The natural medicines have been used to minimize non-steroidal anti-inflammatory drugs. This study aims to investigated the modeling structures and the protein receptor from quecertin in inflammation mechanism and their optimization of the effectiveness in the human body. The bioinformatics tools used in this study are the database of quercetin compounds, Pubchem and Swis Target Prediction protein prediction databases, PyRx 0.8 molecular docking software, ligand docking, and binding site analysis with PyMOL and LigPlus software. The results from in silico show that quercetin compounds can interact with Muscleblind-like protein 1 target protein with a Binding Affinity minus value which is not much different from the dexamethasone compound. Dexamethason is a standart because it is a corticosteroid drug that can be used as an anti-inflammatory to reduce inflammation, allergic reactions, arthritis and other inflammatory diseases.