| Abstrakt: |
Objective: Different 5-substituted benzimidazole-2-yl urea derivatives were designed and synthesized to evaluate their anthelmintic activity. Methods: The derivatives were prepared according to the previously reported method with little modification. The synthesized compounds were purified by crystallization and characterized by IR, 1H NMR, 13C NMR, and MS data. The anthelmintic activities of the designed compounds were ascertained by using PASS (prediction of activity spectrum of substances) before their in vitro evaluation. Results and Discussion: The compounds were synthesized in good yield ranging between 70–80%. PASS (prediction of activity spectrum of substances) analysis predicted probable anthelmintic activity for the compounds (0.5 > pa< 0.7). Three of the synthesized compounds (IId), (IIId), and (IVd) showed comparable anthelmintic activities with respect to albendazole in terms of mean paralyzing and mean death time. Compounds (IId), (IIId), and (IVd) displayed excellent docking scores –43.24, –35.14, and –34.17 kcal/mol, respectively, compared to the standard drug albendazole (–43.87). Conclusions: All three active compounds passed Lipinski's rule of five without any violations. This increases their drug-likeness properties and their chances of becoming orally bioavailable drugs. Further, in vivo activity and toxicity studies will push these compounds (IId), (IIId), and (IVd) to the next level of drug design to counter anthelmintic resistance. [ABSTRACT FROM AUTHOR] |
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