Background:
This article reviews computational research on benzimidazole derivatives.
Cyotoxicity for all compounds against cancer cell lines was measured and the results revealed that
many compounds exhibited high inhibitions. This research examines the varied pharmacological
properties like anticancer, antibacterial, antioxidant, anti-inflammatory and anticonvulsant activities
of benzimidazole derivatives. The suggested method summarises in silico research for each activity.
This review examines benzimidazole derivative structure-activity relationships and pharmacological
effects. In silico investigations can anticipate structural alterations and their effects on these derivative’s pharmacological characteristics and efficacy through many computational methods. Molecular docking, molecular dynamics simulations and virtual screening help anticipate pharmacological
effects and optimize chemical design. These trials will improve lead optimization, target selection,
and ADMET property prediction in drug development. In silico benzimidazole derivative studies
will be assessed for gaps and future research. Prospective studies might include empirical verification, pharmacodynamic analysis, and computational methodology improvement.
Objectives:
This review discusses benzimidazole derivative in silico research to understand their
specific pharmacological effects. This will help scientists design new drugs and guide future research.
Methods:
Latest, authentic and published reports on various benzimidazole derivatives and their
activities are being thoroughly studied and analyzed.
Result:
The overview of benzimidazole derivatives is more comprehensive, highlighting their
structural diversity, synthetic strategies, mechanisms of action, and the computational tools used to
study them.
Conclusion:
In silico studies help understand benzimidazole derivative SAR. By meticulously altering substituents, ring modifications, and linker groups, this study identified the structural factors that
affect the pharmacological activity of benzimidazole derivatives, enabling the rational design and
optimization of more potent and selective compounds.