Pharmacophore and k nearest neighbor studies on pyridazinylmethyl glucoside congeners derivative as potential antidiabetic agents
Mukesh Chandra Sharma · Annals of Phytomedicine An International Journal · 2023
The article describes the development of a robust models and the investigation of structure activity relationship of forty one pyridazinylmethylphenyl derivatives reported for novel c-aryl glucoside SGLT2 inhibitors.3D QSAR studies produced reasonably good predictive models with high cross validated correlation coefficient q2 (0.739) and external test set (0.708) values using the k nearest neighbor method.Pharmacophore model with lowest RMSD value (0.0653 Å) consists of aliphatic, hydrogen bond acceptor, hydrogen bond donor and aromatic feature was developed.The results of the present study may be useful in the design of more potent pyridazinylmethylphenyl derivatives as antidiabetic agents.