Pipit Romadhona, lalu Muhammad Anwar, Salma Hilmy Rusydi Hashim
{"title":"抑制大蒜(Allium Sativum L)中 SARS CoV-2 的木瓜蛋白酶 (Papain-Like Protease, Plpro) 酶和炎症介质 TNF-?","authors":"Pipit Romadhona, lalu Muhammad Anwar, Salma Hilmy Rusydi Hashim","doi":"10.25026/jsk.v6i1.2010","DOIUrl":null,"url":null,"abstract":"COVID-19 is an infectious disease caused by the SARS CoV-2 virus. Garlic (Allium sativum L) contains compounds that are responsible for immunomodulatory effects and have antiviral activity. This study aims to find out more about the compounds contained in garlic that have the potential for COVID-19 treatment. The research method is in silico. Macromolecules targeting papain-like protease enzyme tethering with code 6B18 and TNF-? mediators with code 1TNF and IFN-? with code 4Z5R. The results of research on 34 compounds in garlic obtained compounds that can inhibit the enzyme PLpro, namely the hyperin compound at -8.7 kcal/mol, compounds that can inhibit TNF-? mediators, namely phytol compounds at -8.0 kcal/mol, and compounds that can inhibit INF-a mediators, namely ergosterol compounds at -8.2 kcal/mol.\nKeywords: COVID-19, PLpro, garlic, inflammation, TNF-a, IFN-a, in silico\n \nAbstrak\nCOVID-19 adalah penyakit menular yang disebabkan oleh virus SARS CoV-2. Bawang putih (Allium sativum L) mengandung senyawa yang bertanggung jawab atas efek imunomodulator dan memiliki aktivitas antivirus. Penelitian ini bertujuan untuk mengetahui lebih lanjut senyawa yang terkandung didalam bawang putih yang berpotensi sebagai pengobatan COVID-19. Metode penelitian secara in silico. Makromolekul target penambatan enzim papain-like protease dengan kode 6B18, dan untuk mediator TNF-? dengan kode 1TNF dan IFN-? dengan kode 4Z5R. Hasil penelitian dari 34 senyawa pada bawang putih diperoleh senyawa yang dapat menghambat enzim PLpro yaitu senyawa hyperin sebesar -8.7 kcal/mol, senyawa yang dapat menghambat mediator TNF-? yaitu senyawa phytol sebesar -8.0 kcal/mol dan yang dapat menghambat mediator INF-a yaitu senyawa ergosterol sebesar -8.2 kcal/mol.\nKata Kunci: COVID-19, PLpro, bawang putih, inflamasi, TNF-?, IFN-?, in silico","PeriodicalId":473028,"journal":{"name":"Jurnal Sains dan Kesehatan","volume":"12 24","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-02-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Inhibitor Enzim Papain-Like Protease (Plpro) SARS CoV-2 dan Mediator Inflamasi TNF-? dan IFN-? pada Bawang Putih (Allium Sativum L)\",\"authors\":\"Pipit Romadhona, lalu Muhammad Anwar, Salma Hilmy Rusydi Hashim\",\"doi\":\"10.25026/jsk.v6i1.2010\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"COVID-19 is an infectious disease caused by the SARS CoV-2 virus. Garlic (Allium sativum L) contains compounds that are responsible for immunomodulatory effects and have antiviral activity. This study aims to find out more about the compounds contained in garlic that have the potential for COVID-19 treatment. The research method is in silico. Macromolecules targeting papain-like protease enzyme tethering with code 6B18 and TNF-? mediators with code 1TNF and IFN-? with code 4Z5R. The results of research on 34 compounds in garlic obtained compounds that can inhibit the enzyme PLpro, namely the hyperin compound at -8.7 kcal/mol, compounds that can inhibit TNF-? mediators, namely phytol compounds at -8.0 kcal/mol, and compounds that can inhibit INF-a mediators, namely ergosterol compounds at -8.2 kcal/mol.\\nKeywords: COVID-19, PLpro, garlic, inflammation, TNF-a, IFN-a, in silico\\n \\nAbstrak\\nCOVID-19 adalah penyakit menular yang disebabkan oleh virus SARS CoV-2. Bawang putih (Allium sativum L) mengandung senyawa yang bertanggung jawab atas efek imunomodulator dan memiliki aktivitas antivirus. Penelitian ini bertujuan untuk mengetahui lebih lanjut senyawa yang terkandung didalam bawang putih yang berpotensi sebagai pengobatan COVID-19. Metode penelitian secara in silico. Makromolekul target penambatan enzim papain-like protease dengan kode 6B18, dan untuk mediator TNF-? dengan kode 1TNF dan IFN-? dengan kode 4Z5R. Hasil penelitian dari 34 senyawa pada bawang putih diperoleh senyawa yang dapat menghambat enzim PLpro yaitu senyawa hyperin sebesar -8.7 kcal/mol, senyawa yang dapat menghambat mediator TNF-? yaitu senyawa phytol sebesar -8.0 kcal/mol dan yang dapat menghambat mediator INF-a yaitu senyawa ergosterol sebesar -8.2 kcal/mol.\\nKata Kunci: COVID-19, PLpro, bawang putih, inflamasi, TNF-?, IFN-?, in silico\",\"PeriodicalId\":473028,\"journal\":{\"name\":\"Jurnal Sains dan Kesehatan\",\"volume\":\"12 24\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-02-29\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Jurnal Sains dan Kesehatan\",\"FirstCategoryId\":\"0\",\"ListUrlMain\":\"https://doi.org/10.25026/jsk.v6i1.2010\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Jurnal Sains dan Kesehatan","FirstCategoryId":"0","ListUrlMain":"https://doi.org/10.25026/jsk.v6i1.2010","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Inhibitor Enzim Papain-Like Protease (Plpro) SARS CoV-2 dan Mediator Inflamasi TNF-? dan IFN-? pada Bawang Putih (Allium Sativum L)
COVID-19 is an infectious disease caused by the SARS CoV-2 virus. Garlic (Allium sativum L) contains compounds that are responsible for immunomodulatory effects and have antiviral activity. This study aims to find out more about the compounds contained in garlic that have the potential for COVID-19 treatment. The research method is in silico. Macromolecules targeting papain-like protease enzyme tethering with code 6B18 and TNF-? mediators with code 1TNF and IFN-? with code 4Z5R. The results of research on 34 compounds in garlic obtained compounds that can inhibit the enzyme PLpro, namely the hyperin compound at -8.7 kcal/mol, compounds that can inhibit TNF-? mediators, namely phytol compounds at -8.0 kcal/mol, and compounds that can inhibit INF-a mediators, namely ergosterol compounds at -8.2 kcal/mol.
Keywords: COVID-19, PLpro, garlic, inflammation, TNF-a, IFN-a, in silico
Abstrak
COVID-19 adalah penyakit menular yang disebabkan oleh virus SARS CoV-2. Bawang putih (Allium sativum L) mengandung senyawa yang bertanggung jawab atas efek imunomodulator dan memiliki aktivitas antivirus. Penelitian ini bertujuan untuk mengetahui lebih lanjut senyawa yang terkandung didalam bawang putih yang berpotensi sebagai pengobatan COVID-19. Metode penelitian secara in silico. Makromolekul target penambatan enzim papain-like protease dengan kode 6B18, dan untuk mediator TNF-? dengan kode 1TNF dan IFN-? dengan kode 4Z5R. Hasil penelitian dari 34 senyawa pada bawang putih diperoleh senyawa yang dapat menghambat enzim PLpro yaitu senyawa hyperin sebesar -8.7 kcal/mol, senyawa yang dapat menghambat mediator TNF-? yaitu senyawa phytol sebesar -8.0 kcal/mol dan yang dapat menghambat mediator INF-a yaitu senyawa ergosterol sebesar -8.2 kcal/mol.
Kata Kunci: COVID-19, PLpro, bawang putih, inflamasi, TNF-?, IFN-?, in silico