In silico and in vitro studies revealed that rosmarinic acid inhibited methanogenesis via regulating composition and function of rumen microbiota

文献类型： 外文期刊

第一作者： Liu, Yunlong

作者： Liu, Yunlong;Diao, Qiyu;Ma, Tao;Tu, Yan;Li, Xiaopeng

作者机构：

关键词： molecular docking; methyl-coenzyme M reductase; rosmarinic acid; methane emission; prokaryotic community

期刊名称：JOURNAL OF DAIRY SCIENCE （ 影响因子：4.4； 五年影响因子：4.4 ）

ISSN： 0022-0302

年卷期： 2024 年 107 卷 10 期

页码：

收录情况： SCI

摘要： Inhibition of methyl-coenzyme M reductase can suppress the activity of ruminal methanogens, thereby reducing enteric methane emissions of ruminants. However, developing specific and environmentally friendly inhibitors is a challenging endeavor. To identify a natural and effective methane inhibitor that specifically targets methyl-coenzyme M reductase, molecular docking technology was employed to screen a library of phytogenic compounds. A total of 52 candidate compounds were obtained through molecular docking technique. Rosmarinic acid (RA) was one of the compounds that could traverse a narrow channel and bind to the active sites of methyl-coenzyme M reductase, with a calculated binding free energy of -9.355 kcal/mol. Furthermore, the effects of RA supplementation on methane production, rumen fermentation, and the microorganism community in dairy cows were investigated through in vitro rumen fermentation simulations according to a random design. Supplementation of RA resulted in a 15% decrease in methane production compared with the control. In addition, RA increased the molar proportion of acetate and unclassified genus from Atopobiaceae. At the archaeal level, the relative abundance of Methanobrevibacter de- creased, whereas that of Methanosphaera increased with RA supplementation. These findings suggested that RA has the potential to be used as a novel natural additive for inhibiting ruminal methane production.

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