Fig. 5 | Scientific Reports

Fig. 5

From: Comparative evaluation of antimicrobial activities and molecular docking of selected medicinal plants used in arab countries using zamzam water and conventional solvents

Fig. 5The alternative text for this image may have been generated using AI.

Molecular visualization of β-Caryophyllene _3SRW interaction. (A) showed zoom out of β-Caryophyllene (blue) interacting and clustered to the same binding site of the co crystalized ligand 7-aryl-2,4-diaminoquinazolines (green) within the active site of DHFR with PDB ID 3SRW. (B) showed zoom in of β-Caryophyllene interacting to the same binding site of 7-aryl-2,4-diaminoquinazolines. (C) 2D map of β-Caryophyllene interacting to the crucial amino acids of the active site. (D) Grid visualization showing their overall electrostatic complementary to the active site.

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