Revealing 1, 3-diphenylpropane’s coagulation toxicity via infomaxnet-based network toxicology and molecular simulations

The pervasive use of plastic products has led to environmental contamination by compounds like 1,3-diphenylpropane (SD-1), a polystyrene dimer found in plastic food containers that poses potential health risks. SD-1 can induce coagulation disorder, however, the toxic mechanisms of SD-1 has not been elucidated yet. This study proposes a network toxicology analysis framework—InfomaxNet, which successfully addresses the challenge of lacking prior biological knowledge by analyzing complex biological networks using only network topology. Using the deep learning model MolTrans to predict SD-1 targets, InfomaxNet identified the critical proteins AKT2 and F9.

Recommended citation: Pan Y, Cai H, Ran Y, Qiu H, Huang Z, Wu D, Zhang W, Zhang N, Cheng L, Long J, Gao S, Qiu X, Li G, Xian B. Revealing 1, 3-diphenylpropane coagulation toxicity via infomaxnet-based network toxicology and molecular simulations. Ecotoxicology and Environmental Safety. 2025 Sep 15;303:118834.
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