Figure 1 | Scientific Reports

Figure 1

From: Nematicidal and insecticidal activities of halogenated indoles

Figure 1The alternative text for this image may have been generated using AI.

In silico screening of indole based iodine-fluorine compounds. Binding orientations of ligands (6-iodoindoline, 7-fluoro-5-iodoindole, and 5F4IPP) (iodine is shown in pink, fluorine in green, and backbone hydrogen bonds are shown as dotted yellow lines). The 2D image shows the interactions between ligands and surrounding amino acid residues within M2-M3 of chain D and M1-M2 of chain E (D and E in the 2D interaction diagram denote the respective chains); hydrogen bonds are shown as dotted pink arrows. Polar amino acids are shown in blue color, and the hydrophobic residues are displayed in green color.

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