Molecular Docking Studies of Novel Benzimidazole Macromolecules

Résumé fourni par la source

Abstract Biologically active benzimidazole derivatives are successfully prepared. The produced compound 2‐hydrazinobenzimidazole (N1) and 5‐methoxy‐2‐hydrazinobenzimidazole (N2) have been synthesized via reacting aqueous hydrazine with 2‐mercaptobenzimidazole (MBI) and 5‐methoxy‐2‐mercaptobenzimidazole (MMBI), respectively. These two compounds are used to prepare the compounds N3–N11. The synthesized compounds are characterized by physical and spectroscopic techniques. Molecular docking of synthesized compounds indicates that compound N5, N10, and N11 have good antitumor properties. Furthermore, the theoretical studies prove that all the synthetic compounds in the study showed good lipophilicity, with a range of 0.132–3.739.

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