Analysis of acid-base properties of riboflavin calculated via semi-empirical methods.
نویسندگان
چکیده
A number of physicochemical parameters were calculated via semi-empirical methods AM1 and PM3 for the molecule of riboflavin at various protonation states. Their analysis made it possible to determine the acidicity of appropriate groups of this compound. The sequence of protons dissociation and accepting by the neutral molecule of riboflavin was determined. This methodology may be used to study acid-base properties of other biologically active compounds.
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ورودعنوان ژورنال:
- Acta poloniae pharmaceutica
دوره 65 1 شماره
صفحات -
تاریخ انتشار 2008