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Jinghui Wang, Feng Li, Yan Li, Yinfeng Yang, Bin Wang, Shuwei Zhang and Ling Yang Insight into the structural requirements of benzimidazole derivatives as interleukin-2 inducible t-cell kinase inhibitors by computational explorations International Journal of Quantum Chemistry 113

Version of Record online: 16 MAY 2013 | DOI: 10.1002/qua.24470

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The activation of T-lymphocytes is critical for the initiation and regulation of the body's immune response to external pathogens. These cells are distinguished by the presence of a T-cell antigen receptor on the surface. This work uses three-dimensional quantitative structure–activity relationship methods to study a series of benzimidazole derivatives that exhibit activity against interleukin-2 inducibleT-cell kinase. The developed models demonstrate good predictive ability and some key structural factors responsible for the activity.

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