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已发表论文
将网络药理学与实验验证相结合探究大蒜素在动脉粥样硬化中的作用机制
Authors Wu S, Liu T, Weng M, Zhou Y, Ye L, Ruan S, Tang D, Zhong Q, Liu L, Zhao G
Received 2 August 2025
Accepted for publication 6 December 2025
Published 16 December 2025 Volume 2025:19 Pages 11187—11205
DOI https://doi.org/10.2147/DDDT.S553875
Checked for plagiarism Yes
Review by Single anonymous peer review
Peer reviewer comments 3
Editor who approved publication: Dr Tuo Deng
Shuaikai Wu,1 Tingting Liu,1 Mingjin Weng,2 Yuping Zhou,3 Lijing Ye,1 Suyan Ruan,3 Dongmei Tang,4 Qiong Zhong,1 Lili Liu,1 Guojun Zhao1
1The Afiliated Qingyuan Hospital (Qingyuan People’s Hospital), Guangzhou Medical University, Qingyuan, Guangdong, People’s Republic of China; 2School of Pharmacy, Zunyi Medical University, Zhuhai, Guangdong, People’s Republic of China; 3College of Basic Medical Sciences, Dali University, Dali, Yunnan, People’s Republic of China; 4School of Artificial Intelligence Medicicine, Guilin Medical University, Guilin, Guangxi, People’s Republic of China
Correspondence: Guojun Zhao, The Afiliated Qingyuan Hospital (Qingyuan People’s Hospital), Guangzhou Medical University, No. 35, Yinquan North Road, Qingcheng District, Qingyuan, Guangdong, 511518, People’s Republic of China, Tel +86-18820540486, Email zhaoguojun@gzhmu.edu.cn
Background: Allicin is a monomer compound derived from traditional Chinese medicine, which has demonstrated significant efficacy in the treatment of cancer, neuroinflammation, gastrointestinal diseases, and other conditions. However, the specific mechanism of action of Allicin in combating cardiovascular diseases remains insufficiently clarified, which limits its application in therapy.
Methods: Network pharmacology and molecular docking techniques were employed to explore the potential targets and signaling pathways of Allicin in the treatment of as atherosclerosis (AS). The regulatory effects of Allicin on cell apoptosis, aortic plaques, and lipid levels were assessed through TUNEL staining, Oil Red O staining, HE staining, GPO-PAP, and COD-PAP. Additionally, immunofluorescence assay was conducted to validate the screened key targets.
Results: Based on the analysis of network pharmacology and molecular docking techniques, 94 predicted overlapping target genes were identified from the target genes of Allicin and AS-related target genes; Among them, Allicin exhibits a strong binding affinity for five main targets (CASP3, NF-κB1, BTK, MAPK3, and PARP1), and these targets were found to play important role in the anti-apoptotic mechanism of Allicin. Furthermore, Allicin could inhibit the progression of plaques, down- regulating the expressions of CASP3 and NF-κB1, and up-regulate the expressions of BTK, MAPK3, and PARP1 in vivo and in vitro.
Conclusion: The present results show that Allicin may improves AS by regulating the main targets of macrophage apoptosis.
Keywords: allicin, atherosclerosis, apoptosis, network pharmacology, molecular docking techniques, experimental verification
1The Afiliated Qingyuan Hospital (Qingyuan People’s Hospital), Guangzhou Medical University, Qingyuan, Guangdong, People’s Republic of China; 2School of Pharmacy, Zunyi Medical University, Zhuhai, Guangdong, People’s Republic of China; 3College of Basic Medical Sciences, Dali University, Dali, Yunnan, People’s Republic of China; 4School of Artificial Intelligence Medicicine, Guilin Medical University, Guilin, Guangxi, People’s Republic of China
Correspondence: Guojun Zhao, The Afiliated Qingyuan Hospital (Qingyuan People’s Hospital), Guangzhou Medical University, No. 35, Yinquan North Road, Qingcheng District, Qingyuan, Guangdong, 511518, People’s Republic of China, Tel +86-18820540486, Email zhaoguojun@gzhmu.edu.cn
Background: Allicin is a monomer compound derived from traditional Chinese medicine, which has demonstrated significant efficacy in the treatment of cancer, neuroinflammation, gastrointestinal diseases, and other conditions. However, the specific mechanism of action of Allicin in combating cardiovascular diseases remains insufficiently clarified, which limits its application in therapy.
Methods: Network pharmacology and molecular docking techniques were employed to explore the potential targets and signaling pathways of Allicin in the treatment of as atherosclerosis (AS). The regulatory effects of Allicin on cell apoptosis, aortic plaques, and lipid levels were assessed through TUNEL staining, Oil Red O staining, HE staining, GPO-PAP, and COD-PAP. Additionally, immunofluorescence assay was conducted to validate the screened key targets.
Results: Based on the analysis of network pharmacology and molecular docking techniques, 94 predicted overlapping target genes were identified from the target genes of Allicin and AS-related target genes; Among them, Allicin exhibits a strong binding affinity for five main targets (CASP3, NF-κB1, BTK, MAPK3, and PARP1), and these targets were found to play important role in the anti-apoptotic mechanism of Allicin. Furthermore, Allicin could inhibit the progression of plaques, down- regulating the expressions of CASP3 and NF-κB1, and up-regulate the expressions of BTK, MAPK3, and PARP1 in vivo and in vitro.
Conclusion: The present results show that Allicin may improves AS by regulating the main targets of macrophage apoptosis.
Keywords: allicin, atherosclerosis, apoptosis, network pharmacology, molecular docking techniques, experimental verification