Bioavailability predictions, pharmacokinetics and drug-likeness of bioactive compounds from Andrographis paniculata using Swiss ADME

Abstract

Abstract Background: Earlier research on Andrographis paniculata focused on documenting their bioactive compounds profiles and traditional use. Before making a drug-like substance prediction using information from in silico experimental models, the current work aimed to examine and analyze the ADMET properties. This study assessed the drug-likeness and ADMET characteristics of bioactive compounds from A. paniculata. Materials and Methods: The current study will be the first to use the free online tool Swiss ADME to report the ADME characteristics of A. paniculata. The ADME properties of 10 bioactive compounds from A. paniculata were screened, and the results were evaluated. 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 A. paniculata. Based on the information, it was predicted that A. panicluata would be effective in managing the disease. To validate these findings, it is advisable to conduct further controlled experimental research exploring the bioactive compounds’ pharmacological effects.