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Figure 8

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Publication: Fernandes et al., 2023 - Complement System Inhibitory Drugs in a Zebrafish (Danio rerio) Model: Computational Modeling
All Figures: Figures for Fernandes et al., 2023

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Figure 8

In silico analysis of the interaction of PMX205 with C5aR1 in D. rerio and H. sapiens. (a) 3D structure of PMX205 in the mol2 format of the ChemSpider database; (b) structural overlap of H. sapiens C5aR1 (grey) and homologous molecule of D. rerio (blue); (I) comparison of the PMX205–C5aR1 interaction between H. sapiens (purple) and D. rerio (pink); (c,c.1,d,d.1) docking of protein–binder interaction between C5aR1 and PMX205; (c.2,d.2) interaction of PMX205 with the binding site, in detail; (c.3,d.3) main amino acid residues of the receptors of H. sapiens (c.3) and D. rerio (d.3) and Van der Waals binding force with binder residues. The PDB C5aR1 file for D. rerio was built in the Swiss model, using the reference based on the crystallographic model 6C1R of H. sapiens, and the CB-Dock platform for docking.

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