Figure 1 | Scientific Reports

Figure 1

From: Determination of key residues in MRGPRX2 to enhance pseudo-allergic reactions induced by fluoroquinolones

Figure 1

Homology modeling of human MRGPRX2 and docking simulation with fluoroquinolones. (a) Homology modeling of human MRGPRX2. A model of human MRGPRX2 was built with Prime version 4.5 using the crystal structure of agonist-bound human kappa opioid receptor (KOR) as a template. (b) Docking model of human MRGPRX2 with ciprofloxacin (CPFX, green) or pazufloxacin (PZFX, gray). A basic substituent at the 7 position of CPFX is highlighted by a red circle. The docking study incorporating the induced fit effect was performed with the Induced Fit Docking (IFD) algorithm from Schrödinger. The docking model of PZFX was constructed by superimposition with CPFX.

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