Potential Health Risks of Chloroacetanilide Herbicides: An In Silico Analysis

The extensive use of herbicidal products in agriculture and forestry has

raised concerns over potential adverse effects on human health and the

environment. Chloroacetanilide herbicides are a group of synthetic

chemicals used to control weeds in agriculture and forestry. However,

so[me of their members have been characterized as possible carcinogens.

The genotoxicity and carcinogenicity of two chloroacetanilide

herbicides, delachlor and xylachlor, are discussed. This article

proposes to use tools to predict their potential toxicities based on

their chemical structure. Four software tools, Vega Hub, Toxtree, Lazar,

and TEST, are used to predict the potential genotoxic and carcinogenic

effects of the herbicides. Vega Hub uses QSAR models, Toxtree uses a

decision tree approach, Lazar uses data mining algorithms, and TEST uses

QSAR methods to estimate toxicity. The canonical Simplified Molecular

Input Line Entry Specification (SMILES) systems of delachlor and

xylachlor are entered into each software tool to create a prediction.

The study found that delachlor and xylachlor is a class 3 highly toxic

compounds with potential mutagenic and carcinogenic effects based on

Toxtree and Vega Hub. Meanwhile, Lazar and TEST predicted that delachlor

and xylachlor are unlikely to be mutagenic. This study to determine the

toxicity of the herbicides delachlor and xylachlor has shown that the

possible effects of these herbicides on health and the environment need

to be further investigated. The results provide valuable insights into

chloroacetanilide herbicide toxicity and help develop safer, more

environmentally friendly alternatives.