数字农科院2.0

Molecular docking and in vitro fermentation reveal plant-derived rottlerin targeting methyl-coenzyme M reductase to reduce enteric methane emissions from dairy cows

文献类型： 外文期刊

作者： Zihao Liu;Li Xiao;Yuming Guo;Xuemei Nan;Hui Wang;Yue He;Zhixue Yu;Xiangfang Tang;Benhai Xiong

作者机构：

关键词： dairy cow;methane mitigation;methyl-coenzyme M reductase;molecular docking;rottlerin

期刊名称： Journal of Dairy Science

ISSN： 1525-3198

年卷期： 2025 年 108 卷 9 期

页码：

收录情况： SCIE（2025版）

摘要： This study aimed to investigate the inhibitory effects of rottlerin, a plant-derived polyphenol compound, on methane (CH4) production in dairy cow rumen fermentation by targeting methyl-coenzyme M reductase (MCR). Molecular docking and virtual screening revealed that rottlerin exhibited a high binding affinity (−8.300 kcal/mol) with key residues in the catalytic site of MCR (GLY-142 and GLN-230). In vitro rumen fermentation showed that rottlerin significantly reduced CH4 production in a dose-dependent manner (up to 32.4%), while maintaining stable pH, dry matter digestibility, and VFA concentration. Microbial community analysis revealed a reduction in the relative abundance of Methanobrevibacter, a dominant hydrogenotrophic methanogen, and a simultaneous increase in Candidatus_Methanomethylophilus (P < 0.05), a methylotrophic methanogen, indicating a metabolic shift favoring methylotrophic rather than hydrogenotrophic methanogenesis. The in vitro MCR inhibition assay showed a concentration dependent inhibition of MCR activity (half-maximal inhibitory concentration [IC50] = 23.72 μM), suggesting a direct interaction between rottlerin and MCR, consistent with the docking results. These findings highlight the potential of rottlerin as a naturally occurring, MCR-targeted feed additive for sustainable methane mitigation in dairy cows.

分类号：

  • 相关文献

[1]Salvianolic acid C inhibits methane emissions in dairy cows by targeting MCR and reshaping the rumen microbial community. Zihao Liu,Li Xiao,Xiangfang Tang,Yue He,Xuemei Nan,Hui Wang,Yuming Guo,Benhai Xiong. 2025

[2]In silico and in vitro studies revealed that rosmarinic acid inhibited methanogenesis via regulating composition and function of rumen microbiota. Yunlong Liu,Xiaopeng Li,Qiyu Diao,Tao Ma,Yan Tu. 2024

[3]Flow of fatty acids to the duodenum and fatty acid profile of milk from cows fed diets differing in forage fiber level. Bu, D. P.,Wang, J. Q.,Dhiman, T. R.,Li, S. C.,Liu, S. J.. 2007

[4]Developmental changes in plasma proteins during the transition period in dairy cows.. Yang, Y. X.,Li, S. S.,Wang, J. Q.,Bu, D. P.,Zhang, L. Y.,Zhou, L. Y.. 2010

[5]Effect of Feeding Bacillus subtilis natto on Hindgut Fermentation and Microbiota of Holstein Dairy Cows. Song, D. J.,Kang, H. Y.,Wang, J. Q.,Peng, H.,Bu, D. P.. 2014

[6]Effect of dietary net energy concentration on dry matter intake and energy partition in cows in mid-lactation under heat stress. Yan, Fangquan,Xue, Bai,Song, Liangrong,Dalecuo,Xiao, Jun,Ding, Siyan,Hu, Xiaofei,Yan, Tianhai,Bu, Dengpan.

[7]Hydroxy-selenomethionine: A novel organic selenium source that improves antioxidant status and selenium concentrations in milk and plasma of mid-lactation dairy cows. Sun, P.,Wang, J.,Liu, W.,Bu, D. P.,Bu, D. P.,Bu, D. P.,Liu, S. J.,Zhang, K. Z..

[8]MicroRNA expression patterns in the bovine mammary gland are affected by stage of lactation. Wang, M.,Wang, J.,Bu, D.,Wang, M.,Moisa, S.,Khan, M. J.,Loor, J. J.. 2012

[9]Effects of corn straw or mixed forage diet on rumen fermentation parameters of lactating cows using a wireless data logger. Qin, Chunfu,Bu, Dengpan,Sun, Peng,Zhao, Xiaowei,Wang, Jiaqi,Qin, Chunfu,Zhang, Peihua,Qin, Chunfu.

[10]Effect of feeding Bacillus subtilis natto fermentation product on milk production and composition, blood metabolites and rumen fermentation in early lactation dairy cows. Peng, H.,Wang, J. Q.,Kang, H. Y.,Dong, S. H.,Sun, P.,Bu, D. P.,Zhou, L. Y.,Kang, H. Y.,Dong, S. H.. 2012

[11]Deep Sequencing and Screening of Differentially Expressed MicroRNAs Related to Milk Fat Metabolism in Bovine Primary Mammary Epithelial Cells. Shen, Binglei,Zhang, Liying,Lu, Chunyan,Zhang, Yonghong,Yang, Runjun,Zhao, Zhihui,Shen, Binglei,Pan, Qiqi,Lian, Chuanjiang,Lian, Chuanjiang. 2016

[12]ITRAQ quantitative analysis of plasma proteome changes of cow from pregnancy to lactation. Ma Lu,Yan Su-mei,Ma Lu,Bu Deng-pan,Yang Yong-xing,Wang Jia-qi,Bu Deng-pan. 2015

[13]Effects of Bacillus subtilis natto on milk production, rumen fermentation and ruminal microbiome of dairy cows. Sun, P.,Wang, J. Q.,Deng, L. F.. 2013

[14]Effects of dietary neutral detergent fiber and starch ratio on rumen epithelial cell morphological structure and gene expression in dairy cows. Ma, L.,Zhao, M.,Zhao, L. S.,Bu, D. P.,Ma, L.,Zhao, M.,Zhao, L. S.,Bu, D. P.,Xu, J. C.,Loor, J. J.,Loor, J. J.,Bu, D. P..

[15]Inflammatory Response of Peripheral Blood Mononuclear Cells Post Intramammary Challenge with Staphylococcus aureus in Dairy Cows. Liu, Li,Yuan, Zhengrong,Chen, Cui,Zhang, Limin,Chen, Xiaojie,Liu, Xidong,Gao, Xue,Li, Junya,Gao, Huijiang,Zhang, Lupei,Xu, Shangzhong. 2012

[16]Relationship between thiamine and subacute ruminal acidosis induced by a high-grain diet in dairy cows. Pan, X. H.,Yang, L.,Xue, F. G.,Xin, H. R.,Xiong, B. H.,Pan, X. H.,Beckers, Y.,Jiang, L. S..

[17]Diurnal variations of progesterone, testosterone, and androsta-1,4-diene-3,17-dionein the rumen and in vitro progesterone transformation by mixed rumen microorganisms of lactating dairy cows. Ren, Qing-Chang,Yang, Hong-Jian,Li, Sheng-Li,Wang, Jia-Qi. 2014

[18]Duodenal infusion of alpha-linolenic acid affects fatty acid metabolism in the mammary gland of lactating dairy cows. Yang, G.,Bu, D. P.,Wang, J. Q.,Khas-Erdene,Zhou, L. Y.,Loor, J. J.,Loor, J. J..

[19]Responses of energy balance, physiology, and production for transition dairy cows fed with a low-energy prepartum diet during hot season. Su, Huawei,Su, Huawei,Wang, Yachun,Wang, Fuwei,Cao, Zhijun,Rahman, Muhammad Aziz Ur,Cao, Binghai,Li, Shengli,Zhang, Qian.

[20]Comparative proteomics analysis of plasma proteins during the transition period in dairy cows with or without subclinical mastitis after calving. Yang, Y. X.,Wang, J. Q.,Bu, D. P.,Li, S. S.,Yuan, T. J.,Zhou, L. Y.,Yang, J. H.,Sun, P.,Yang, Y. X..

作者其他论文 更多>>