内蒙古农业大学学报（自然科学版）2026，Vol.47Issue(5)：46-57,12.DOI:10.16853/j.cnki.1009-3575.2026.05.006
奶牛MCT1的组织表达特征与分子互作机制:一项综合性生物信息学研究
Tissue-specific Expression and Molecular Interaction Mechanism of Bovine MCT1:An Integrated Bioinformatics Study
摘要
Abstract
Ketosis is a prevalent metabolic disorder in dairy cows during the transition period,primarily characterized by negative en-ergy balance and elevated blood β-hydroxybutyrate(BHBA)levels,which severely compromises health and lactation performance.The monocarboxylate transporter 1(MCT1),a key carrier responsible for BHBA transmembrane transport has a regulatory mecha-nism that remains unclear.This study focused on Holstein dairy cattle and employed an integrated approach combining literature mining and bioinformatics analysis to systematically investigate the tissue-specific expression profile of MCT1.Furthermore,homolo-gy modeling,molecular docking,and molecular dynamics(MD)simulations were performed to elucidate the interaction mechanism with BHBA.Results revealed significantly high expression of MCT1 in metabolically active tissues such as the rumen epithelium,intestine,and mammary gland.Molecular docking demonstrated that BHBA binds with considerable affinity(ΔG=-6.22 kcal/mol)to the conserved substrate pocket of MCT1.Specifically,its carboxyl group forms a salt bridge with Lys38,while its polar head es-tablishes a hydrogen-bond network with Arg313 and Ser154.Additional stability is provided by hydrophobic interactions with resi-dues including Tyr34 and Phe278.MD simulations and binding free energy decomposition further validated the significant contribu-tions of key residues such as Arg313,Ser154,and Lys38 to the complex stability.These findings provide detailed structural and en-ergetic insights into the molecular basis of BHBA transport by MCT1 and suggest novel strategies for the targeted regulation of MCT1 function in ketosis prevention and treatment.关键词
奶牛酮病/β-羟基丁酸(BHBA)/单羧酸转运蛋白1(MCT1)/组织表达谱/分子对接与分子动力学模拟Key words
Dairy cow ketosis/β-hydroxybutyrate(BHBA)/Monocarboxylate transporter 1(MCT1)/Tissue expression profile/Mo-lecular docking and molecular dynamics simulation分类
农业科技引用本文复制引用
那仁格日勒,谷玉田,王浩名,李立民..奶牛MCT1的组织表达特征与分子互作机制:一项综合性生物信息学研究[J].内蒙古农业大学学报（自然科学版）,2026,47(5):46-57,12.基金项目
内蒙古自治区直属高校基本科研业务费项目(BR230132) （BR230132）
内蒙古自治区自然科学博士基金项目(2019BS03004) （2019BS03004）
内蒙古农业大学高层次人才科研启动项目(NDYB2018-22) （NDYB2018-22）
内蒙古农业大学生命科学学院青年基金项目(QN202101) （QN202101）
