GC-MS Profiling of Phytobioconstituents Present in Andrographis paniculata (Burm.f.) Nees Extract and Pharmacokinetic and Toxicity Properties by ADME/Tox Analysis

Abstract

Andrographis paniculata, commonly known as the "King of Bitters" has traditionally been used as a medicinal herb. The metabolite composition of A. paniculata is generally determined by its properties, which may be influenced by a range of factors, one of which is the part of the plant extracted. The objective of this research is to identify and characterize the putative metabolite composition in n-hexane extract of stem and leaf using gas chromatography-mass spectrometry. A total of 22 different phytobioconstituents were identified, including flavonoids, terpenoids, fatty acids, phenolic acids, quinones, alkaloids and vitamin. The pharmacokinetic properties of the identified phytobioconstituents, like drug-likeness and toxicity, were also predicted by ADME/Tox analysis. Phytobioconstituents, predicted to be drug-like can be further investigated as ligands by using in silico docking approaches, for disease targets. The study provides empirical evidence for future study that might lead to their therapeutic applications and industrial product development. © 2022 Chemical Publishing Co.. All rights reserved.