Bioavailability predictions, pharmacokinetics and drug-likeness of bioactive compounds from Andrographis paniculata using Swiss ADME
Soumya Khare, Tanushree Chatterjee, Shailendra Gupta, Patel Ashish- General Earth and Planetary Sciences
- General Environmental Science
Abstract
Background:
Earlier research on
Materials and Methods:
The current study will be the first to use the free online tool Swiss ADME to report the ADME characteristics of
Results:
Six bioactive compounds were identified to have good gastrointestinal absorption and can penetrate the brain. These compounds include andrographolide, 14-Acetylandrographolide, Drf3188, Neoandrographolide, Isoandrographolide, and 3,19-O-diacetyl andrographolide. On the other hand, three of the bioactive compounds were found to show Ames mutagenicity: 19-O-Acetylandrographolide, 3,19-isopropylideneandrographolide, and 14-glycinylandrographolide hydrochloride. Except 5-Hydroxy-7,8-dimethoxyflavone, most of these substances do not serve as substrates for both P-glycoprotein (P-gp) and Cytochrome P-450 isoenzymes (CYP). Furthermore, all the compounds were found to pass the Lipinski rule of five, indicating their potential suitability as drug candidates.
Conclusion:
Swiss ADME has proven to be an effective, dependable, and straightforward method for determining the ADME characteristics of the bioactive compounds in