1210909-34-4Relevant academic research and scientific papers
Design, synthesis and biological evaluation of 1,3,4-oxadiazole derivatives
Jha, Keshari Kishore,Samad, Abdul,Kumar, Yatendra,Shaharyar, Mohd.,Khosa, Ratan Lal,Jain, Jainendra,Kumar, Vikash,Singh, Priyanka
, p. 4963 - 4967 (2010)
3D QSAR analysis for the 21 molecules of 1,3,4-oxadiazoles was carried out by using k-Nearest Neighbor Molecular Field Analysis (kNN-MFA) combined with various selection procedures. 30 3D QSAR models were generated; one of these models was selected on the basis of q2 and pred-r2 values. The selected Model has training set of 17 molecules and test set of 4 molecules with validation (q2) and cross validation (pred-r2) values of 0.6969 and 0.6148 respectively. Title compounds of 1,3,4-oxadiazole derivatives were synthesized by the ring closure reactions of various acylhydrazides with carbon disulphide (4a-e) and with aromatic acids in POCl3 (5a-e). After structural elucidation, all the synthesized compounds were evaluated for their antimicrobial activity against Escherichia coli, Staphylococcus aureus and Staphylococcus epidermidis.
