Author: Dr. Pratibha TeotiaPublisher: Manojvm Publishing House
ISBN: 8194885973
Category : Fiction
Languages : en
Pages :
Book Description
Now day’s computer-aided drug design considered as a powerful method to design very specific lead compounds that can be developed as drug molecules. Using different in-silico tools, a target is selected and then its structure is defined and determined. After that new chemical/ synthetic compounds can be designed in-silico on the basis of combinatorial chemistry or chosen from an already available chemical library of molecules or library of molecules is generated from a subset of small molecules on the basis of docking and scoring against the particular target. In this study, I attempt to generate 2D QSAR model using small pIC50 values for thirty-eight benzoxazole derivatives binding with C. parvum IMPDH protein resulting correlation coefficient value R2/r2 is 0.7948. Docking results show that out of 38 benzoxazole derivatives, four compounds are most active. The present examination may give the data about potential derivatives of Benzoxazole as chemotherapeutic operators to battle against the expanding weight of Cryptosporidiosis infections.
