Herein, we present the synthesis and crystal structures determination of five 4-(1-phenyl-1H-1,2,3-triazol-4-yl)phenol derivatives containing halogen atoms, 6a–e, which may be used as an excellent mimic of steroids in the drug development process. Good quality crystals obtained for all of the synthesized compounds allowed the analysis of their molecular structures. Subsequently, the determined crystal structures were used to calculate the Hirshfeld surfaces for each of the synthesized compounds. Furthermore, results of our docking studies indicated that synthesized derivatives are able to bind effectively to the active sites of selected enzymes and receptors involved in the hormone biosynthesis and signaling pathways, analogously to the native steroids.
Authors
- dr inż. Mateusz Daśko link open in new tab ,
- prof. dr hab. inż. Anna Dołęga link open in new tab ,
- Magdalena Siedzielnik link open in new tab ,
- dr inż. Karol Biernacki link open in new tab ,
- mgr inż. Olga Ciupak link open in new tab ,
- prof. dr hab. inż. Janusz Rachoń link open in new tab ,
- dr hab. inż. Sebastian Demkowicz link open in new tab
Additional information
- DOI
- Digital Object Identifier link open in new tab 10.3390/molecules26134059
- Category
- Publikacja w czasopiśmie
- Type
- artykuły w czasopismach
- Language
- angielski
- Publication year
- 2021
