Synergistic Effect of Quercetin with Allicin from the Ethanolic …
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Fig. 9 GC-MS Data for A. cepa
3.8 GC–MS Analysis
The mass spectrum of unknown component was compared with the spectrum of
the known component stored in the database of National Institute Standard and
Technology (NIST) library. The mass spectrometer analyzes the compounds eluted at
different times (retention time) to identify the nature and structure of the compounds.
The GC–MS study of the ethanolic extract of A. cepa had shown the presence of
essential bioactive compounds. Two such bioactive compounds viz. Quercetin and
Allicin were chosen for the synergistic effect on bacterial biofilm-forming protein
compared to antibiotic azithromycin (Fig. 9).
3.9 Molecular Docking Studies
3.9.1 Docking Between Biofilm Forming Protein and Bioactive
Compounds Present in A. cepa
Phytocompounds were synergistically docked in silico with the receptor proteins,
and docking sites were compared with antibiotics for its subsequent use as putative
drugs. The best-docked poses were selected based on the lowest energy and good
interaction to the active site residues via H-bonds, electrostatic interactions or pi-pi
interactions (Fig. 10; Table 1).