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Artificial Intelligence Uncovers Natural MMP Inhibitor Crocin as a Potential Treatment of Thoracic Aortic Aneurysm and Dissection

文献类型：期刊论文

作者Qi, Feiran5,6,7,8; Liu, Yan5,6,7,8; Zhang, Kunlin2,3,4; Zhang, Yanzhenzi5,6,7,8; Xu, Ke5,6,7,8; Zhou, Mei1; Zhao, Huinan5,6,7,8; Zhu, Shuolin5,6,7,8; Chen, Jianxin4; Li, Ping5,6,7,8
刊名FRONTIERS IN CARDIOVASCULAR MEDICINE
出版日期2022-04-06
卷号9页码:15
ISSN号2297-055X
关键词thoracic aortic aneurysm and dissection drug therapy matrix metallopeptidase crocin natural compound artificial intelligence
DOI10.3389/fcvm.2022.871486
通讯作者Chen, Jianxin(cjx@bucm.edu.cn) ; Li, Ping(doctorliping7511@sohu.com) ; Du, Jie(jiedu@ccmu.edu.cn)
英文摘要Thoracic aortic aneurysm and dissection (TAAD) is a lethal cardiovascular condition without effective pharmaceutical therapy. Identifying novel drugs that target the key pathogenetic components is an urgent need. Bioinformatics analysis of pathological studies indicated "extracellular matrix organization" as the most significant functional pathway related to TAAD, in which matrix metallopeptidase (MMP) 2 and MMP9 ranked above other proteases. MMP1-14 were designated as the prototype molecules for docking against PubChem Compound Database using Surflex-Dock, and nine natural compounds were identified. Using a generic MMP activity assay and an aminopropionitrile (BAPN)-induced TAAD mouse model, we identified crocin as an effective MMP inhibitor, suppressing the occurrence and rupture of TAAD. Biolayer interferometry and AI/bioinformatics analyses indicated that crocin may inhibit MMP2 activity by direct binding. Possible binding sites were investigated. Overall, the integration of artificial intelligence and functional experiments identified crocin as an MMP inhibitor with strong therapeutic potential.
收录类别SCI
WOS关键词MATRIX METALLOPROTEINASES ; INFLAMMATION ; DOXYCYCLINE ; COLLAGEN ; SEARCH ; KIDNEY ; GROWTH ; INJURY ; CELLS
资助项目National Natural Science Foundation of China[81930014] ; National Natural Science Foundation of China[81770250] ; National Natural Science Foundation of China[91939106] ; National Natural Science Foundation of China[81790622] ; National Natural Science Foundation of China[81870339] ; Beijing Advanced Innovation Center for Big Data-based Precision Medicine ; Capital Medical University, Beijing[PXM2021_014226_000026]
WOS研究方向Cardiovascular System & Cardiology
语种英语
出版者FRONTIERS MEDIA SA
WOS记录号WOS:000791290000001
资助机构National Natural Science Foundation of China ; Beijing Advanced Innovation Center for Big Data-based Precision Medicine ; Capital Medical University, Beijing
源URL[http://ir.psych.ac.cn/handle/311026/42549]  
专题心理研究所_中国科学院心理健康重点实验室
通讯作者Chen, Jianxin; Li, Ping; Du, Jie
作者单位1.Tianjin Med Univ, Sch Basic Med Sci, Dept Physiol & Pathophysiol, Tianjin, Peoples R China
2.Univ Chinese Acad Sci, Dept Psychol, Beijing, Peoples R China
3.Chinese Acad Sci, Inst Psychol, CAS Key Lab Mental Hlth, Beijing, Peoples R China
4.Beijing Univ Chinese Med, Sch Life Sci, Beijing, Peoples R China
5.Minist Educ, Key Lab Remodeling Related Cardiovasc Dis, Beijing, Peoples R China
6.Beijing Collaborat Innovat Ctr Cardiovasc Disorder, Beijing, Peoples R China
7.Beijing Inst Heart Lung & Blood Vessel Dis, Beijing, Peoples R China
8.Capital Med Univ, Beijing Anzhen Hosp, Beijing, Peoples R China
推荐引用方式
GB/T 7714		 Qi, Feiran,Liu, Yan,Zhang, Kunlin,et al. Artificial Intelligence Uncovers Natural MMP Inhibitor Crocin as a Potential Treatment of Thoracic Aortic Aneurysm and Dissection[J]. FRONTIERS IN CARDIOVASCULAR MEDICINE,2022,9:15.
APA Qi, Feiran.,Liu, Yan.,Zhang, Kunlin.,Zhang, Yanzhenzi.,Xu, Ke.,...&Du, Jie.(2022).Artificial Intelligence Uncovers Natural MMP Inhibitor Crocin as a Potential Treatment of Thoracic Aortic Aneurysm and Dissection.FRONTIERS IN CARDIOVASCULAR MEDICINE,9,15.
MLA Qi, Feiran,et al."Artificial Intelligence Uncovers Natural MMP Inhibitor Crocin as a Potential Treatment of Thoracic Aortic Aneurysm and Dissection".FRONTIERS IN CARDIOVASCULAR MEDICINE 9(2022):15.

入库方式： OAI收割

来源：心理研究所

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