Discovery of new herbal anthelmintics from Artemisia Annua L. via in silico molecular docking and in vivo extract application

Abstract

One of the most important factors limiting the growth and development of children is gastrointestinal helminths. A conscious anthelmintic herbal cure is a rational approach to establishing a sustainable public health program in the treatment of oxyurid infections that are mostly seen in children, disrupt development, frequently recur and are asymptomatic. This study aims to investigate the molecular mechanisms of the anthelmintic features of Artemisia annua L. and to compare the antinematodal effect of A. annua L. n-hexane extract with Albendazole (ABZ) in naturally infected mice. For this purpose, A. annua L. n-hexane extract was extracted and orally administered to Balb-c mice infected with Syphacia obvelata oxyurid species at 300, 600, and 1200 mg/kg doses for seven days. Mice were examined for changes in S. obvelata egg numbers on days -7, -1, 1, 3, 5, and 7 by the anal tape method. As a reference drug, ABZ was administered at a dose of 5 mg/kg for three days, and as solvent control, corn oil was given in the same way and time as the extract. Some components of A. annua L. were investigated for possible chemical interactions and free energy of binding in Haemonchus contortus (3-tubulin (Hc(3-tubulin) protein and rat Carnitine Palmitoyltransferase II (RnCPT II) enzyme by in silico docking simulations. Stigmasterol and friedelin inhibit the RnCPT II enzyme in silico with 9.43 nM and 13.07 nM Ki values, respectively, while not binding to Hc(3-tubulin. Arteannuin-B and scopoletin inhibited both RnCPT II and Hc(3-tubulin. A. annua L. n-hexane extract at 1200 mg/kg dose reduced oxyurid eggs by 88% on the 7th day. ABZ caused a 65.58% reduction. As the result, arteannuin-B, scopoletin, stigmasterol and friedelin are worthy of isolation and investigation in vitro and in vivo in terms of their anthelmintic effect. They can be evaluated as potential anthelmintic molecules.