Nitrosubstituted analogs of isoxazolines and isoxazolidines: a surprising estimation of their biological activity via molecular docking
Authors:
- Karolina Zawadzińska,
- Bartłomiej Gostyński
Abstract
The biological activities in the field of antimicrobial application of trihalomethylated isoxazolines and isoxazolidines were investigated by means of molecular docking. In our work, we compared these two groups of heterocyclic compounds due to their strength of non-covalent binding affinity with several exemplary proteins that are known to partake in various biological processes. The obtained results show that the investigated compounds possess higher binding affinities to selected proteins than many hitherto known and applied compounds.
- Record ID
- CUT638e7ac28fc542a3a2856c621e2c4dee
- Publication categories
- ;
- Author
- Journal series
- Scientiae Radices, ISSN 2956-4808
- Issue year
- 2023
- Vol
- 2
- No
- 1
- Pages
- 25-46
- Other elements of collation
- rys.; tab.; Bibliografia (na s.) - 42-46; Bibliografia (liczba pozycji) - 37; Oznaczenie streszczenia - Abstr.; Numeracja w czasopiśmie - Vol. 2, Iss. 1
- Keywords in English
- isoxazolines, isoxazolidines, molecular docking, molecular dynamics, biological activity
- DOI
- DOI:10.58332/scirad2023v2i1a02 Opening in a new tab
- URL
- https://sci-rad.com/2023v02i01a02/ Opening in a new tab
- Language
- eng (en) English
- License
- Score (nominal)
- 20
- Score source
- journalList
- Score
- Uniform Resource Identifier
- https://cris.pk.edu.pl/info/article/CUT638e7ac28fc542a3a2856c621e2c4dee/
- URN
urn:pkr-prod:CUT638e7ac28fc542a3a2856c621e2c4dee
* presented citation count is obtained through Internet information analysis, and it is close to the number calculated by the Publish or PerishOpening in a new tab system.