Institutional Repository of Key Laboratory of Mental Health, CAS
Artificial Intelligence Uncovers Natural MMP Inhibitor Crocin as a Potential Treatment of Thoracic Aortic Aneurysm and Dissection | |
Qi, Feiran1,2,3,4; Liu, Yan1,2,3,4; Zhang, Kunlin5,6,7; Zhang, Yanzhenzi1,2,3,4; Xu, Ke1,2,3,4; Zhou, Mei8; Zhao, Huinan1,2,3,4; Zhu, Shuolin1,2,3,4; Chen, Jianxin5; Li, Ping1,2,3,4; Du, Jie1,2,3,4 | |
第一作者 | Qi, Feiran |
通讯作者邮箱 | cjx@bucm.edu.cn (jianxin chen) ; doctorliping7511@sohu.com (ping li) ; jiedu@ccmu.edu.cn (jie du) |
心理所单位排序 | 6 |
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. |
关键词 | thoracic aortic aneurysm and dissection drug therapy matrix metallopeptidase crocin natural compound artificial intelligence |
2022-04-06 | |
语种 | 英语 |
DOI | 10.3389/fcvm.2022.871486 |
发表期刊 | FRONTIERS IN CARDIOVASCULAR MEDICINE |
ISSN | 2297-055X |
卷号 | 9页码:15 |
期刊论文类型 | 实证研究 |
收录类别 | SCI |
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] |
出版者 | FRONTIERS MEDIA SA |
WOS关键词 | MATRIX METALLOPROTEINASES ; INFLAMMATION ; DOXYCYCLINE ; COLLAGEN ; SEARCH ; KIDNEY ; GROWTH ; INJURY ; CELLS |
WOS研究方向 | Cardiovascular System & Cardiology |
WOS类目 | Cardiac & Cardiovascular Systems |
WOS记录号 | WOS:000791290000001 |
WOS分区 | Q1 |
资助机构 | National Natural Science Foundation of China ; Beijing Advanced Innovation Center for Big Data-based Precision Medicine ; Capital Medical University, Beijing |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://ir.psych.ac.cn/handle/311026/42549 |
专题 | 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.Capital Med Univ, Beijing Anzhen Hosp, Beijing, Peoples R China 2.Beijing Inst Heart Lung & Blood Vessel Dis, Beijing, Peoples R China 3.Beijing Collaborat Innovat Ctr Cardiovasc Disorder, Beijing, Peoples R China 4.Minist Educ, Key Lab Remodeling Related Cardiovasc Dis, Beijing, Peoples R China 5.Beijing Univ Chinese Med, Sch Life Sci, Beijing, Peoples R China 6.Chinese Acad Sci, Inst Psychol, CAS Key Lab Mental Hlth, Beijing, Peoples R China 7.Univ Chinese Acad Sci, Dept Psychol, Beijing, Peoples R China 8.Tianjin Med Univ, Sch Basic Med Sci, Dept Physiol & Pathophysiol, Tianjin, 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. |
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