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Design, Network Analysis, In Silico Modeling and Synthesis of Benzimidazoles Nanocomposites as Anticancer Agent
Author(s) -
Panneerselvam Theivendren,
Arumugam Subramanian,
Ali Mohamed Ashraf,
Selvaraj Kunjiappan,
Indhumathy Murugan,
Sivakumar Arumugam,
Joshi Shrinivas D.
Publication year - 2017
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.201601763
Subject(s) - nanocomposite , benzimidazole , in silico , biological activity , combinatorial chemistry , docking (animal) , chemistry , nanotechnology , materials science , computational biology , biochemistry , biology , in vitro , gene , organic chemistry , medicine , nursing
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 drug‐receptor interaction using three dimensional crystal structures of human protein p38α. The formulated nanocomposite produces p38α MAP Kinases inhibitory activity with IC 50 <1μm. 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.