In Silico Evaluation of the Physicochemical, Pharmacokinetics, and Toxicity Profiles of Sesquiterpene Lactones of South African Leaf (Vernonia amygdalina Delile)

doi:10.26538/tjnpr/v5i10.21

Abstract

a peer-reviewed, open access online international journal which publishes original research papers. The journal welcomes submission from scholars and experts for possible publication from all over the world. The scope of the journal includes: Pharmaceutical research, chemistry and biochemistry of naturally occurring compounds, biological evaluation of crude extracts, ethnomedicine, traditional and complementary medicine, ethnopharmacology, biomedical research, Biotechnology, Evaluation of natural substances of land and sea and of plants, microbes and animals, pharmacognosy, bioavailability, clinical, pharmacological, toxicological studies and pharmacokinetics of phytochemicals, Isolation and characterization of compounds, structure elucidation, synthesis and experimental biosynthesis of natural Product as well as developments of methods in these areas are welcomed in the journal.

Highlights

Pharmacokinetics is the study of the entire process experienced by drug molecules from the time it enters the body until the drug is excreted from the body
Prediction of the physicochemical, pharmacokinetic, and toxicity properties of the South Africa sesquiterpene lactone compounds as test compounds and cyclophosphamide as standard oral chemotherapy begins with a search for the physicochemical properties and Canonical Simplified Molecular Input Line Entry System (SMILES) code with the assistance of PubChem website, followed by computational processing using pkCSM and ProTox-II websites
The process ends with an analysis of the computational data generated on the compounds' physicochemical, pharmacokinetic, and toxicity properties compared to cyclophosphamide as the standard anticancer drug

Summary

Introduction

Pharmacokinetics is the study of the entire process experienced by drug molecules from the time it enters the body until the drug is excreted from the body. The drug action processes in pharmacokinetics are sequentially absorption, distribution, metabolism, and excretion, which affects the half-life (T1⁄2), peak time (Tmax), the onset of action, and duration of action.[1] Toxicity is the ability of a material to have a toxic or poisonous effect for a certain period due to chemical, physiological interactions in the body.

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