Integrative computational elucidation of molecular mechanisms and multi-target interactions in paraquat-induced pulmonary fibrosis

Guiyan Du, Shengyao Tang, Tian Shi, Guosheng Liu, Xia Huang, Jian Chang, Department of Clinical Laboratory, Hubei Provincial Key Laboratory of Occurrence and Intervention of Rheumatic Diseases, Department of Medical Laboratory, Enshi Maternity and Child Healthcare Hospital, Department of Medical Laboratory, Minda Hospital of Hubei Minzu University, Department of Clinical Laboratory, Xianfeng County People, s Hospital

Toxicology and Industrial Health

Published online on April 13, 2026

Abstract

Toxicology and Industrial Health, Ahead of Print.
Paraquat (PQ), a widely used herbicide, induces severe pulmonary fibrosis through complex mechanisms that are not fully understood. This study employed an integrated computational approach combining network toxicology, molecular docking, dynamics ...