Journal of Clinical & Experimental Pharmacology

Cheminformatic insight into anti-insectant potentials of Ricinus communis L

International Conference on Experimental and Clinical Pharmacology and Toxicology

September 26, 2022 | Webinar

Baydaa Abed Hussein, Namdar Yousofvand and Isaac Karimi*

Razi University, Iran

Scientific Tracks Abstracts: J Clin Exp Pharmacol

Abstract:

The cholinesterase inhibitory potential of methyl alcohol extracts of Ricinus communis L. Euphorbiaceae (RC) has been spectrophotometrically assayed and the structures of phytocompounds of RC were curated and docked into Acetyl Cholinesterase (AChE; PDB:1EVE) and Binding Affinity (BA; kcal/mol) reported as an endpoint. The ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) features were computationally retrieved. Methyl alcohol extracts of seed and leaves showed significant anti-AChE activity of 65.33 and 27.67%, respectively compared to eserine as a canonical AChE inhibitor. In silico findings showed that among phytochemicals found in RC, stigmasterol oleate and fucosterol had the strongest BAs of -12.2 and -11.9, respectively compared to that of eserine (-6.4 kcal/mol). Computational toxicology showed that both phytochemicals belong to high (Class III) toxic compounds due to the absence of sulphonate or sulphamate groups in their structures. In sum, RC is known as an anti-insectant or insect repellent herb, and for the first time, we hypothesized these activities of RC may be due to its anti-AChE activity. At least, stigmasterol oleate and fucosterol may be involved in the anti-insective potentials of RC and further investigations are welcomed.

Biography :

Isaac Karimi is a veterinarian and associate professor of physiology in Razi University, Iran. He is an academic member in Razi University since 2008. He has an interdisciplinary view; however, he is concentrated on pharmacogenomics, translational research, Nano toxicology, computational biology, and biomathematics.