2022
DOI: 10.3389/fcvm.2022.871486
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Artificial Intelligence Uncovers Natural MMP Inhibitor Crocin as a Potential Treatment of Thoracic Aortic Aneurysm and Dissection

Abstract: 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 again… Show more

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Cited by 9 publications
(10 citation statements)
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“…1 e) revealed a possible imbalance of MMPs/TIMP1 in the extracellular matrix in HPH mice. Qi et al demonstrated that crocin and hesperetin are MMP inhibitors 29 . We evaluated the activity of MMPs in the murine colorectal cancer SL4 cell line to examine the effect of MMPs on the balance between MMPs and TIMP1.…”
Section: Resultsmentioning
confidence: 99%
See 2 more Smart Citations
“…1 e) revealed a possible imbalance of MMPs/TIMP1 in the extracellular matrix in HPH mice. Qi et al demonstrated that crocin and hesperetin are MMP inhibitors 29 . We evaluated the activity of MMPs in the murine colorectal cancer SL4 cell line to examine the effect of MMPs on the balance between MMPs and TIMP1.…”
Section: Resultsmentioning
confidence: 99%
“…The cell supernatant was treated and electrophoresed on an 8% sodium dodecyl sulfate‒polyacrylamide gel with 0.1% gelatin. Then, the gel was treated and stained with Coomassie blue R-250 solution as previously described 29 .…”
Section: Methodsmentioning
confidence: 99%
See 1 more Smart Citation
“…The combination of AI and bioinformatics can also identify the MMP2 inhibitors. AI used the Surflex-Dock module in Sybyl-x2.0 software to map small molecule compounds from PubChem to prototype molecules from the Protein Data Bank to identify crocin as an MMP2 inhibitor . As an example of the ongoing improvement in the design of MMP2 inhibitors driven by computational methods, the inhibitor TP0597850 was recently unveiled in 2023 by a team of researchers.…”
Section: Unveiling Potent Inhibitors For Cancer Therapy: a Case Study...mentioning
confidence: 99%
“…Aortic echography was performed as previously described [21,24], using a high-resolution micro-ultrasound system (Vevo LAB, Visual Isonics, Japan) equipped with a 450-MHz transducer. In brief, mouse was sedated with 1% isoflurane and chest hairs were shaved, then was placed in a supine position and the probe was at the right margin of the sternum and at 458 from the right chest wall.…”
Section: Aortic Echographymentioning
confidence: 99%