From Myricetin to the Discovery of Novel Natural Human ENPP1 Inhibitors: A Virtual Screening, Molecular Docking, Molecular Dynamics Simulation, and MM/GBSA Study
It was recently revealed that naturally occurring myricetin can inhibit ectonucleotidase ectonucleotide pyrophosphatase/phosphodiesterase 1 (ENPP1), which, in turn, can treat ischemic cardiac injury. However, due to myricetin’s poor druggability, its further developments are relatively limited, whic...
| Published in: | Molecules |
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| Main Authors: | , |
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-09-01
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| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/27/19/6175 |