Shaza M Al-Massarani, Latifah S Aldurayhim, Ibtisam A Alotaibi, Mostafa W M Abdelmageed, Md Tabish Rehman, Omer A Basudan, Maged S Abdel-Kader, Mohamed F Alajmi, Fatma M Abdel Bar, Perwez Alam, Maram M Al Tamimi, Ali A El Gamal
Phytochemical investigation of the ethanolic extract of the aerial parts of Sisymbrium irio L. led to the isolation of four unsaturated fatty acids ( 1 - 4 ), including a new one ( 4 ), and four indole alkaloids ( 5 - 8 ). The structures of the isolated compounds were characterized with the help of spectroscopic techniques such as 1D, 2D NMR, and mass spectroscopy, and by correlation with the known compounds. In terms of their notable structural diversity, a molecular docking approach with the AutoDock 4.2 program was used to analyze the interactions of the identified fatty acids with PPAR-γ and the indole alkaloids with 5-HT1A and 5-HT2A , subtypes of serotonin receptors, respectively...
March 27, 2023: Pharmaceuticals