Prediction of the biological activity and kefiran docking study

Vol. 1, 2019 - 110377
Poster and Oral (selected)
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Abstract

Kefir is a fermented product produced from the action of naturally occurring microorganisms in the beverage[1]. The biological activity of kefiran was predicted using a web server PASS. A docking study was performed between this molecule and target proteins: Histamine H1 (PDB ID: 3 RZE); COX-1 (PDB: 5U6X); COX-2 (PDB: 5KIR)); and C-Jun N-terminal kinase (JNK 3)[2]. In this study, the following RMSD were obtained: 0.7; 0.6; 1.2 and 0.65 Å, for the respective therapeutic targets H1, COX-1, COX-2 and JNK3, which therefore shows that all values are within the recommended range. H1 was the receptor that obtained the highest affinity with kefiran, being suggested as a great histamine inhibitor potential. In the analysis of the biological activity it was possible to identify that the molecule of kefiran presented excellent anti-inflammatory, antioxidant and immunostimulating activities. Thus, both prediction of biological activity and the study of docking were considered satisfactory.

Track
  • 3. Medicinal Chemistry of Natural Products
Keywords
Kefiran
Docking
Biological activity