Toxicity of Anti-Inflammatory Substances in Hemigraphis Alternata Leaves: In Silico Study Using ProTox-II

Abstract

Hemigraphis alternata is empirically used to treat wounds. Hemigraphis alternata leaves ethyl acetate extract can assist in resolving the inflammatory process by inhibiting enzymes that play a role in the inflammatory cycle. Twenty-two substances found in the leaves of Hemigraphis alternata were predicted to have an anti-inflammatory effect by inhibiting cyclooxygenase-1 (COX-1) or 5-lipoxygenase (5-LOX) as an enzyme target. In-silico toxicology was carried out to acquire new anti-inflammatory drugs with low toxicity from 22 compounds. ProTox-II was utilized to measure the level of toxicity of these drugs at many endpoints. In this study, five compounds have LD50 > 5000 mg/kg body weight, toxicity class 5-6, and inactive for cytotoxicity, carcinogenicity, hepatotoxicity, mutagenicity and immunotoxicity parameters. They are 2-methyleneoctanenitrile, nerolidol, 2,7-dioxa-tricyclo[4.4.0.0(3,8)]deca-4,9-diene, 9,9-dimethoxybicyclo[3.3.1]nonane-2,4-dione, and phytol. Keywords: in silico, toxicity, Hemigraphis alternata, anti-inflammatory, ProTox-II