Bioavailability prediction of phytochemicals present in Calotropis procera (Aiton) R. Br. by using Swiss-ADME tool

ABSTRACT

The medicinal plant, Calotropis procera (Aiton) R. Br. is a common shrub and this plant has several phytochemicals that act as analgesic and anti-inflammatory agents. The aim of the present study was to detect bioavailability potential through absorption, distribution, metabolism and excretion (ADME) of phytocompounds established in C. procera plant parts. In silico study, especially pharmacokinetics, bioavailability, drug-likeness and medicinal chemistry friendliness prediction was performed by using the SwissADME online tool to know the lead phytocompound for the drug candidate for the prevention of pain and inflammation. The common established eleven phytocompounds such as Methyl myrisate, Methyl behenate, Anthocyanin, Uzarigenin, Lupeol, β-amyrin, α-amyrin, Uscharin, Calotropin, β-sitosterol and Quercetin-3-rutinoside as well as 2 synthetic anti-inflammatory medicines were selected for the present computational prediction. The predictions of pharmacokinetics, bioavailability, drug-likeness and medicinal chemistry friendliness obtained a suitable phytocompound Uzarigenin of C. procera, which showed resemblance with several parameters of Ibuprofen and the synthetic drug Ibuprofen is well-established analgesic and anti-inflammatory agent. In conclusion, the small molecule, Uzarigenin can be suitable drug candidate. Further study should be done by in vitro and in vivo assay for toxicology, pharmacology and experimental bioavailability for pain and inflammation reliving phytomedicine to confirm the present predictions.

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WSN 131 (2019) 147-163

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