Design, Network Analysis, In Silico Modeling and Synthesis of Benzimidazoles Nanocomposites as Anticancer Agent

摘要

A novel benzimidazole was synthesized and formulated as a nanocomposite and it was characterized by spectral, elemental analyses followed by the nanocomposite was screened for their anticancer activity. The anticancer screening of synthesized compounds was evaluated against two different cancer cell lines. Molecular modelling was performed to identify drugreceptor interaction using three dimensional crystal structures of human protein p38a. The formulated nanocomposite produces p38a MAP Kinases inhibitory activity with IC50 <1mm. Moreover, nanocomposite possesses significant anticancer activity than synthesized benzimidazole. The high levels of activity shown by nanocomposites were suggesting that the conversion of synthetic motif into nanocomposite could be serving as leads for development of novelty with enhanced biological activities. These results provide a further insight into target to develop potential new agents to combat various biological activities.