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Environmental & Analytical Toxicology

ISSN: 2161-0525

Open Access

Physicochemical, Pharmacokinetics, and Toxicity of South Africa Leaf (Vernonia amygdalina Delile) Sesquiterpene Lactone Compounds by In Silico

Abstract

Nerdy Nerd*, Linda Margata, Bunga Rimta Barus, Bunga Mari Sembiring, Selamat Ginting and Tedy Kurniawan Bakri

Cancer is a disease caused by malignant growth that can occur in humans, animals and plants. Cancer treatment with chemotherapeutic agents is still the main option in cancer treatment. Various efforts to develop new treatment methods are needed for more effective cancer therapy one of them is cyclophosphamide. The sesquiterpene lactone compounds contained in South Africa Leaf (Vernonia amygdalina Delile) contribute to its pharmacological effects as anticancer for several cancers. This study aims to determine the pharmacokinetic profile and toxicity profile of various sesquiterpene lactone compounds contained in South Africa Leaf (Vernonia amygdalina Delile). This research begins with a search for the physicochemical properties and Canonical Simplified Molecular Input Line Entry System (SMILES) code with the assisted of the PubChem, followed by computational processing with the assisted of the pkCSM and ProTox-II. Analysis the physicochemical properties, pharmacokinetics profile, and toxicity profile in comparison with cyclophosphamide as the standard anticancer drug. The results showed that South Africa Leaf (Vernonia amygdalina Delile) sesquiterpene lactone compounds had physicochemical properties that met Lipinski's rule (rule of five). Analysis of the pharmacokinetic profile of the parameters of absorption, distribution, metabolism, and excretion; also the toxicity profile showed that South Africa Leaf (Vernonia amygdalina Delile) sesquiterpene lactone compounds had a similar to better profile than cyclophosphamide. The South Africa Leaf (Vernonia amygdalina Delile) sesquiterpene lactone compounds meet Lipinski's rule (rule of five), have a better pharmacokinetic profile, and have a lower toxicity levels than cyclophosphamide.

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