Proteomics

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Computational Prediction, Validation and Repurposing of Existing Drug as Inhibitor of Vascular Calcification


ABSTRACT: This study aimed to identify small molecules that inhibit vascular calcification with computational approach. To examine the mechanism of calcification inhibition, proteomics analysis was performed using aorta tissue samples to clarify therapeutic target.

INSTRUMENT(S): Orbitrap Fusion Lumos

ORGANISM(S): Mus Musculus (mouse)

TISSUE(S): Aorta

SUBMITTER: Sasha Singh  

LAB HEAD: Elena Aikawa

PROVIDER: PXD029963 | Pride | 2022-02-17

REPOSITORIES: Pride

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Publications

Computational Screening Strategy for Drug Repurposing Identified Niclosamide as Inhibitor of Vascular Calcification.

Tanaka Takeshi T   Asano Takaharu T   Okui Takehito T   Kuraoka Shiori S   Singh Sasha A SA   Aikawa Masanori M   Aikawa Elena E  

Frontiers in cardiovascular medicine 20220120


Vascular calcification is a cardiovascular disorder with no therapeutic options. We recently reported that <i>o</i>-octanoyltransferase (CROT) suppression can inhibit vascular calcification <i>in vivo</i> and <i>in vitro</i> through amelioration of mitochondrial function and fatty acid metabolism. Inhibiting calcification with a small molecule compound targeting CROT-associated mechanisms will be a promising non-invasive treatment of vascular calcification. Here we used a computational approach  ...[more]

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