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5.
QSAR Studies on Trans-3,4’-Bispyridinylethylenes as a Potent and
Novel Inhibitor of Protein kinase B (PKB) having Inhibitory Action
against Myeloma cells
Shubhanjali Shukla, C. Karthikyen, Piyush Trivedi, N.S.H.N. Moorthy*
CADD
Laboratory, School of Pharmaceutical Sciences, Rajiv Gandhi
Proudyogiki Vishwavidyalaya, Airport bypass road, Gandhi Nagar,
Bhopal, Madhya Pradesh- 462036, India. Ph: +91-755-2678883, Fax:
+91-755-2742006
*For correspondence:
nshnm06@yahoo.co.in
Abstract:
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 SsNH2E-index) are influencing the protein kinase
B inhibitory activity of trans-3,4’ bispyridinylethylenes
derivatives.
KEY WORDS:
QSAR, trans-3,4’
bispyridinylethylenes, PKB inhibitors, leave one out method,
topological parameters.
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