Molecular Modeling of Antimalarial Agents by 3D-QSAR Study and Molecular Docking of Two Hybrids 4-Aminoquinoline-1,3,5-triazine and 4-Aminoquinoline-oxalamide Derivatives with the Receptor Protein in Its Both Wild and Mutant Types

<div>2D and 3D docking poses showing interactions of compounds 9, 26, and 11 in the binding sites of wild type and quadruple mutant of pf-DHFR-TS. (a) Compound 26: wild type of pf-DHFR (binding energy −8.9 kcal/mol). (b) Compound 26: quadruple mutant of pf- DHFR-TS (binding energy −8.3 kcal/mol). (c) Compound 9: wild type of pf-DHFR (binding energy −7.42 kcal/mol). (d) Compound 9: quadruple mutant of pf-DHFR-TS (binding energy −7.96 kcal/mol). (e) Compound 11: wild type of pf-DHFR (binding energy −8.58 kcal/mol). (f) Compound 11: quadruple mutant of pf-DHFR-TS (binding energy −9.2 kcal/mol)</div>

Biochemistry Research International

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Figure 7

Figure 7: Molecular Modeling of Antimalarial Agents by 3D-QSAR Study and Molecular Docking of Two Hybrids 4-Aminoquinoline-1,3,5-triazine and 4-Aminoquinoline-oxalamide Derivatives with the Receptor Protein in Its Both Wild and Mutant Types 

Figure 7 | Molecular Modeling of Antimalarial Agents by 3D-QSAR Study and Molecular Docking of Two Hybrids 4-Aminoquinoline-1,3,5-triazine and 4-Aminoquinoline-oxalamide Derivatives with the Receptor Protein in Its Both Wild and Mutant Types 