期刊
BIOINFORMATION
卷 17, 期 3, 页码 404-412出版社
BIOMEDICAL INFORMATICS
DOI: 10.6026/97320630017404
关键词
Benzimidazole; beta-tubulins inhibitors; anthelmintic activity; albendazole; colchicine domain; microtubule
The compound BI-02 shows superior binding features compared to the standard molecule albendazole.
It is of interest to document the molecular docking and dynamic simulations of benzimidazoles with beta-tubulins in the context of anthelmintic activity. We document the compound BI-02 (2-(3,4-dimethyl phenyl)-1H-1,3-benzimidazole (BI-02) with optimal bindig features compared to the standard molecule albendazole (7.0 Kcal/mol) with binding energy-8.50 Kcal/mol and PIC50 value 583.62 nM.
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