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. 2023 Apr 26;18:2141–2162. doi: 10.2147/IJN.S400195

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© 2023 Mohammed et al.

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Simulation interaction diagram for Astragalin and CA IX complex for a timescale of 100 ns. (A) The protein and ligand RMSD graphs for Astragalin and CA IX complex for the timescale of 100 ns. (B) Astragalin and CA IX contacts for the timescale of 100 ns. Green (H-bonds), Purple (hydrophobic), Red (ionic), and blue (water bridge). (C) Astragalin and CA IX interactions for the timescale of 100 ns. Hydrogen bonds (purple), green (hydrophobic), and grey (metal coordination).