|
|
|
|
Theoretical assessment of chiral recognition of Whelk-O1 for chiral compounds
|
|
|
|
|
|
|
|
نویسنده
|
cao y. ,wang x. ,yao s. ,cheng q. ,song h.
|
|
منبع
|
journal of the chemical society of pakistan - 2012 - دوره : 34 - شماره : 1 - صفحه:102 -106
|
|
چکیده
|
In order to perform a qualitative analysis of chiral separation and explore the separation mechanism,the docking method was used to study the intermolecular interactions between the whelk-o1 hplc chiral stationary phase and the given enantiomers. thirteen typical chiral analytes were selected and docked with whelk-o1 using autodock 4.0 and the simulation results were in accordance with the three-point interaction theory. by comparison with the experimental results,the method was showed to be a feasible and efficient way to predict the elution order of the enantiomers of chiral compounds.
|
|
|
|
|
آدرس
|
department of pharmaceutical and biological engineering,sichuan university, China, school of life science and technology,university of electronic science and technology of china,chengdu,china,department of chemistry,bryn mawr college,101 n merion ave.,bryn mawr, United States, department of pharmaceutical and biological engineering,sichuan university, China, department of pharmaceutical and biological engineering,sichuan university, China, department of pharmaceutical and biological engineering,sichuan university, China
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Authors
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|