Two Dimensional QSAR Study of Some Novel 2-Azetidinone Series for Their Antibacterial Activity Against Bacillus subtilis

Two dimensional quantitative structure activity relationship (QSAR) study on series of substituted 2-azetidinone derivatives was performed by using V-LIFE MDS 3.0 software. Several statistical expression for 2D QSAR were developed using statistical methods like multiple regeression, principle component regression, partial least square regression etc. Out of several models, the best five 2D QSAR models having highest correlation coefficient and cross validated squared correlation coefficient were selected for further study (r>0.7, q>0.7). QSAR study revealed that Atomic valence connectivity index, element count, electro topological, estate contribution and alignment-independent descriptors are primarily responsible for biological activity. This approach showed that physicochemical descriptor Hydrogencounts, SddsN(nitro)E-index and alignment-independent descriptors T_C_Cl_3 were found to show significant correlation with biological activity in 2-azetidinone derivatives. The information rendered by 2D QSAR models may lead to a better understanding of structural requirements of antibacterial activity and can help in the design of novel potent molecules.