Background: Pluchea lanceolata belongs to the genus Pluchea (family: Asteraceae). The medicinal herb has been used for various ailments to prevent joint swelling in arthritic disorders, rheumatism, and other neurological-inflammatory disorders. Pluchine, which in our review was found to be a compound from P. Lanceolata, is explored for possible pharmacokinetic and toxicological properties by in silico computational predictive tools.
Aims and Objectives: The aim of the study is to profile the pharmacokinetic, toxicological, and drug likeness scores of pluchine’s active principle using computational analysis and prediction tools.
Materials and Methods: The authenticated and validated chemical structure of pluchine with its chemical formula will be extracted from standard web-based tools PubChem and ChemSpider. The two-dimensional to three-dimensional (3D) structure conversion will be processed with ChemSketchonline software; the 3D structure output will be processed further to be screened for molecular and pharmacokinetic properties for absorption, distribution, metabolism, and elimination, followed by toxicity profiling through AdmetSAR software.
Results: Pluchine active principle from P. lanceolata had a predictive pharmacokinetic profile of human intestinal absorption of 500 mg/kg but
Key words: Pluchine; Pluchea lanceolata; Pharmacokinetics; Toxicology; Bioinformatics
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