摘要
From ZINC database with a total of 1.8 million small molecules, four compounds are identified as prolyl hydroxylase 2 inhibitors through a virtual screening workflow that sequentially incorporates machine learning, molecular docking, and molecular dynamics. Among them, compound 103,(E)-5-(5-((2-(1Htetrazol-5-yl)hydrazineylidene)methyl)furan-2-yl)isoindoline-1,3-dione, promotes the migration and capillary tube formation capacity of human umbilical vein endothelial cells through enhancing the stability of hypoxia inducible factor-1α and increasing the level of vascular endothelial growth factor.
基金
financially supported by the National Natural Science Foundation of China (Nos. 82073715, 81872754)
the Science and Technology Development Fund, Macao SAR (No. FDCT 0001/2021/AKP)
the Research Fund of University of Macao (No. MYRG2020-00091-ICMS)。
