New enantioenriched β-indolyl ketones as aromatase inhibitors: Unraveling heme-ligand interactions by MD simulation and MMPBSA analysis.
Autor: | Pasha MH; Institute of Chemistry, Faculty of Science, University of Sargodha, Sargodha, Pakistan., Gondal HY; Institute of Chemistry, Faculty of Science, University of Sargodha, Sargodha, Pakistan., Munir S; Institute of Chemistry, Faculty of Science, University of Sargodha, Sargodha, Pakistan., Alhussain SA; Department of Chemistry, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh, Saudi Arabia., Zaki MEA; Department of Chemistry, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh, Saudi Arabia. |
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Jazyk: | angličtina |
Zdroj: | Archiv der Pharmazie [Arch Pharm (Weinheim)] 2024 Jul; Vol. 357 (7), pp. e2400010. Date of Electronic Publication: 2024 Apr 05. |
DOI: | 10.1002/ardp.202400010 |
Abstrakt: | 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 IC (© 2024 Deutsche Pharmazeutische Gesellschaft.) |
Databáze: | MEDLINE |
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