Identification of 11β-HSD1 inhibitors through enhanced sampling methods.
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DOI: 10.1039/d1cc06894f
Abstract: Aminoarylbenzosuberene (AAB) molecules were chosen for in silico analysis to develop effective and more competent 11β-hydroxysteroid dehydrogenase (11β-HSD1) protein inhibitors. The AAB4 molecule was shown to have stronger interactions and binding affinity than standard inhibitors… read more here.
Keywords: enhanced sampling; identification hsd1; hsd1; sampling methods ... See more keywords