Absorption, Distribution and Toxicity Prediction of Curculigoside A and its Derivatives

Curculigoside A is a major bioactive phenolic glycoside of the medicinal plant of Curculigo orchioides. The present study was intended to obtain detail information of the pharmacokinetic properties including oral absorption, distribution, metabolism and toxicity of curculigoside A and its derivatives using in silico methods. Pharmacokinetic properties, absorption as well as distribution prediction using parameters of HIA (Human Intestinal Absorption), plasma protein binding, and permeability to Caco-2 cells were studied using the PreADMET and Toxtree package. The result showed that curculigoside A has absorption properties and permeability (permeability: middle) at medium level, and weakly bound to plasma proteins. Aglycone of curculigoside A was predicted to have good absorption properties and its permeability (permeability: middle) at medium level, and weakly bound to plasma proteins. Its derivatives, compounds of (2), (3), (4), (5), and (12), showed better absorption and distribution properties than that of curculigoside A. Toxicity prediction of curculigoside A and its derivatives showed no mutagenic or carcinogenic properties.