LAUSR

Chlorpyrifos is an extensively used organophosphate pesticide showing broad-spectrum effectiveness on various target pests. Long-term sublethal exposure to this pesticide is reported to produce detrimental effects on sex hormone metabolism and nervous system functioning. It is a suspected endocrine-disrupting chemical and causes abnormal developmental patterns, gonadal atrophy, and neurodevelopmental problems. The degradation products formed during environmental degradation of chlorpyrifos are also capable of binding with steroid hormone receptors such as estrogen receptor alpha (ER-α) and can disrupt estrogen signaling in humans. In the present study, chlorpyrifos and four of its degradation products viz. CPYO, DEC, TCP, and TMP were chosen to study their ability to bind with estrogen receptors. The molecular docking and dynamics simulation carried out to understand the molecular interaction of chlorpyrifos and its environmental degradation products with human ER reveal the risk of potential disruption in estrogen signaling in humans by these compounds.