QSAR Studies on Trans-3,4'-Bispyridinylethylenes as a Potent and Novel Inhibitor of Protein kinase B (PKB) having Inhibitory Action against Myeloma Cells

摘要

A series of trans-3,4'-bispyridinylethylene derivatives as potent and novel inhibitor of protein kinase B in tumor cells was considered for the present QSAR study to interpret the structural properties related to protein kinase B inhibitory activity. Partial least square regression analysis was performed for the correlation study and it yielded significant QSAR model. The predictive power and the stability of the selected model was validated by internal (leave one out method) and external (test set) methods. The results obtained from the regression analysis demonstrated that the atom count(alignment) descriptors (T_T_N_4 and T_C_C_5) and electrotoplogical descriptors (SaaaCE-index and SsNH,E-index) are influencing the protein kinase B inhibitory activity of trans-3,4' bispyridinylethylenes derivatives.