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

DOI

10.2991/iccst-15.2015.7How to use a DOI?

Keywords

ADMET, curculigoside A, in silico, pharmacokinetic properties

Abstract

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.

Copyright

© 2015, the Authors. Published by Atlantis Press.

Open Access

This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).

Download article (PDF)

TY  - CONF
AU  - Nursamsiar
AU  - Slamet I. Surantaatmadja
AU  - Daryono H. Tjahjono
PY  - 2015/01
DA  - 2015/01
TI  - Absorption, Distribution and Toxicity Prediction of Curculigoside A and its Derivatives
BT  - Proceedings of the 3rd International Conference on Computation for Science and Technology
PB  - Atlantis Press
SP  - 32
EP  - 35
SN  - 2352-538X
UR  - https://doi.org/10.2991/iccst-15.2015.7
DO  - 10.2991/iccst-15.2015.7
ID  - 2015/01
ER  -