New enantioenriched β‐indolyl ketones as aromatase inhibitors: Unraveling heme–ligand interactions by MD simulation and MMPBSA analysis
Maira Hasnain Pasha,
Humaira Yasmeen Gondal,
Shanza Munir
et al.
Abstract:A series of enantioenriched β‐indolyl ketones as aromatase inhibitors (AI) is synthesized through the Michael‐type Friedel–Crafts alkylation of indole. A highly efficient bifunctionalized amino catalyst is developed to access structurally diverse β‐indolyl ketones in high yields (up to 91%) and excellent enantioselectivity (enantiomeric ratio up to 98:2). All the synthesized compounds demonstrated promising aromatase inhibitory potential, where ortho‐substituted analogs (3c and 3e) were found most active with … Show more
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