Endocrine disruption: molecular interactions of chlorpyrifos and its degradation products with estrogen receptor
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ORIGINAL RESEARCH
Endocrine disruption: molecular interactions of chlorpyrifos and its degradation products with estrogen receptor Jnyandeep Hazarika 1 Rita Mahanta 2
&
Mausumi Ganguly 1 & Gargi Borgohain 1 & Indrani Baruah 1 & Shruti Sarma 1 & Pranjal Bhuyan 1 &
Received: 1 April 2020 / Accepted: 28 May 2020 # Springer Science+Business Media, LLC, part of Springer Nature 2020
Abstract 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. Keywords Chlorpyrifos . Endocrine-disrupting chemical . Estrogen receptor . Chlorpyrifos-oxon (CPYO) . Trichloropyridinol (TCP) . Des-ethyl chlorpyrifos (DEC) . Trichloromethoxypyridine (TMP)
Introduction Pesticides, the man-made chemical arsenals, hinder the survival of the target pests, but apart from the primary targeted effect of destroying the pests, these are also capable of affecting the metabolic systems of other animals exposed to it. After executing the primary effect, the residual pesticides remaining in the environment exert the secondary effects through bringing changes to the metabolic systems in the non-target animals. Exposure to pesticides such as chlorpyrifos has been reported to produce adverse effects on the endocrine homeostasis. These chemicals interfering with normal hormone regulation are referred to as endocrine-disrupting chemicals
* Jnyandeep Hazarika [email protected] 1
Department of Chemistry, Cotton University, Guwahati, Assam 781001, India
2
Department of Zoology, Cotton University, Guwahati, Assam 781001, India
(EDCs) [1]. These substances are known to act as “agonists” or “antagonists” of hormone receptors. In addition, they can also affect enzymatic pathways in hormone biosynthesis and metabolism [2–8]. Chlorpyrifos (O,O-diethyl O-3,5,6-trichloropyridin-2-yl phosphorothioate), a well-known chlorinated organophosphate pesticide is being extensively used as dust, emulsion, and vapor in lethal and sublethal treatment. Long-term sublethal exposure to chlorpyrifos (CPF) exerts various detrimental effects on sex steroid metabolism causing gon
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