One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, Product Details of 288-14-2, such as the rate of change in the concentration of reactants or products with time.In a article, mentioned the application of 288-14-2, Name is Isoxazole, molecular formula is C3H3NO
Quantitative structure-activity relationship (QSAR) and molecular docking studies have been done on 28 isoxazole and thiazole derivatives with anticonvulsant activity in subcutaneous pentylenetetrazole animal model. Physicochemical parameters obtained from PaDEL-Descriptors were utilized in the study. Parametric semi-empirical quantum technique PM3 available in Spartan 14 program was used to optimize the molecular structure of the dataset compounds. Genetic function algorithm, Modified-K-Medoid clustering, correlation analysis and multiple linear regressions were used to search for the best QSAR model. The model obtained had good statistical parameters (LOF = 0.056, R2 = 0.975, Q2 = 0.959, F3,15 = 198.058, R2(Pred.) = 0.761, PRESS = 0.058, SEE = 0.062 and cR2 P = 0.887) and can be utilized to predict the anticonvulsant activity of compounds that are within its chemical space. Molecular docking analysis showed that the studied compounds had a better binding affinity for gamma-aminobutyrate aminotransferase than vigabatrin which is a known inhibitor of gamma-aminobutyrate aminotransferase.
Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. Product Details of 288-14-2, If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 288-14-2, in my other articles.
Reference：
Isoxazole – Wikipedia,
Isoxazole | C3H3NO – PubChem