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 IC value 583.62 nM.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8131577 | PMC |
| http://dx.doi.org/10.6026/97320630017404 | DOI Listing |
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