蛋白酶抑制活性6LU7, sars - cov -2,由硅属ARTOCARPUS植物的类黄酮化合物引起

Adiansyah Adiansyah, Dumartina Hutauruk, Lastry Derliana Nainggolan
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引用次数: 0

摘要

石竹属(Artocarpus)是桑科植物的一个属,该属共有50种,其中印度尼西亚有40种。一些研究报道,类黄酮化合物所含的属石竹具有细胞毒,抗增殖,抗疟疾,抗炎和抗氧化的性质。本研究采用硅系结法测定了石竹属植物类黄酮化合物对SARS-COV-2病毒蛋白酶6LU7的抑制活性。硅系固过程中使用的方法使用PLANTS程序进行,使用Yasara程序进行验证,并使用Moe2008程序进行可视化。6LU7蛋白酶的蛋白质模型通过蛋白质数据库(PDB)下载,代码为6LU7。本研究结果表明,石竹属黄酮类化合物与6LU7表达的结合在硅片上得到了有效的结果。石竹属黄酮类化合物对6LU7酶蛋白的抑制作用比各对照药物的对接值都高,并产生7个相互结合的氨基酸残基。本研究的结论是,石竹属黄酮类化合物抑制6LU7蛋白的表达,其对接评分接近各对照药物的对接评分,并且有7个氨基酸残基相互结合。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
AKTIVITAS PENGHAMBATAN ENZIM PROTEASE 6LU7 VIRUS SARS-COV-2OLEH SENYAWA FLAVONOID DARI TUMBUHAN GENUS ARTOCARPUS SECARA IN SILICO
The genus Artocarpus is one of the genera of Moraceae plants, this genus consists of 50 species and 40 species of them are found in Indonesia. Several studies have reported that the flavonoid compounds contained in the genus Artocarpus have cytotoxic, antiproliferative, antimalarial, anti-inflammatory, and antioxidant properties. The purpose of this study was to determine the inhibitory activity of the protease enzyme 6LU7 of the SARS-COV-2 virus by flavonoid compounds from plants of the genus Artocarpus using the in-silico tethering method. The method used in the in-silico tethering process is carried out using the PLANTS program, validated using the Yasara program, and visualized using the Moe2008 program. The protein model of the 6LU7 Protease Enzyme was downloaded via the Protein Data Bank (PDB) with the code 6LU7. The results of this study indicate that the binding of flavonoid compounds from the genus Artocarpus to the expression of 6LU7 gives valid results in silico. The flavonoid compounds of the Artocarpus genus inhibited the 6LU7 enzyme protein with a higher docking value than each of the comparison drugs and produced 7 amino acid residues that were bound to each other. The conclusion of this study can be concluded that flavonoid compounds from the genus Artocarpus inhibit the expression of 6LU7 protein with a docking score close to the docking score of each comparison drug and 7 amino acid residues are bound to each other.
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