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. 2021 Jun 4;9(3):e00800. doi: 10.1002/prp2.800

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© 2021 The Authors. Pharmacology Research & Perspectives published by John Wiley & Sons Ltd, British Pharmacological Society and American Society for Pharmacology and Experimental Therapeutics.

This is an open access article under the terms of the http://creativecommons.org/licenses/by-nc-nd/4.0/ License, which permits use and distribution in any medium, provided the original work is properly cited, the use is non‐commercial and no modifications or adaptations are made.

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Graphical representation of the interaction of NTZ (multicolor) and the synthesized compounds (multicolor) with the respective proteins (brown) obtained by docking study. (A) Binding mode of NTZ with active site of PDH. (B) Binding mode of Compound 3 with active site of PDH. (C) Binding mode of NTZ with active site of MAPK9. (D) Binding mode of Compound 4 with active site of MAPK9. (E) Binding mode of NTZ with active site of DHFR. (F) Binding mode of Compound 4 with active site of DHFR. (G) Binding mode of NTZ with active site of TS. (H) Binding mode of Compound 4 with active site of TS. Abbreviations: DHFR, Dihydrofolate reductase; MAPK9, Mitogen activated kinase 9; NTZ, Nitazoxanide; PDH, Pyruvate dehydrogenase; TS, Thymidylate synthase