In Silico toxicity assessment of Euphorbia hirta

利用计算机模拟方法对大戟属植物进行毒性评估

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Abstract

BACKGROUND: Herbs have evolved as an alternative and safer option in deriving antibiotics to combat antimicrobial resistance. Euphorbia hirta is a tropical weed. It possesses many beneficial medicinal values; the present study was undertaken to determine in silico toxicity of Eurphorbia hirta. MATERIALS AND METHODS: In silico toxicity estimation was carried out using The Toxicity Estimation Software Tool (TEST). LC50 threshold was calculated using TEST software based on predictions from each model and the consensus average of the component models. RESULTS: The phytoconstituents 3, 7, 11, 15-tetramethyl-2-hexadecen-1-ol, 9, 12, 15-octadecatrienoic acid, 9-octadecenamide, henicosane, hentriacontane, hexadecanoic acid, hexadecanoic acid, methyl ester, phytol, squalene, tetracosane, and Urs - 12- 2n-24-oic acid, 3-oxo-, methyl ester are nontoxic. CONCLUSION: Phytochemical constituents of Euphorbia hirta exhibit an acceptable toxicity limit for drug production and preclinical and clinical appraisal.

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