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ID: ALA2029232
Journal: Bioorg Med Chem Lett
Title: Identification of small-molecule inhibitors of the steroidogenic acute regulatory protein (STARD1) by structure-based design.
Authors: Akula N, Midzak A, Lecanu L, Papadopoulos V.
Abstract: A homology model of the steroidogenic acute regulatory protein (STAR)-related lipid transfer (START) domain of STARD1 was built, and the cholesterol binding site was identified. Structure-based design studies were performed to identify small molecule inhibitors of the START domain. The lead compounds were selected based on cAMP-induced, but not 22R-hydroxycholesterol-supported, inhibition of steroid synthesis by 50% at 10 μM. The results obtained by molecular docking & dynamics show a good correlation between bioactivity, docking scores and calculated binding energies of ligand-protein complexes. The best active compounds will be optimized further and used to develop potential drugs to control excessive steroid formation.
CiteXplore: 22575868