신규 접근법(NAMs)을 활용한 농약의 내분비계 활성 예측: ToxCast/Tox21 데이터 및 QSAR 모델 기반 분석

Endocrine Disrupting Chemicals (EDCs) are chemical substances that disrupt the human hormone system and extensively damage reproductive, developmental, neurological, and immune functions. There is a growing need to develop new technology-based prediction systems that overcome the limitations of existing tests to effectively regulate the management of EDCs. Our study aimed to predict the potential androgenic and estrogenic activities of 510 domestic pesticides using New Approach Methodologies (NAMs) derived from the U.S. EPA's ToxCast/Tox21 database. We collected and analyzed in vitro data related to the estrogen receptor (ER) and the androgen receptor (AR). We also applied EPA's ToxCast pathway models for ER and AR to assess the agonistic or antagonistic activities of pesticides. Quantitative Structure-Activity Relationship (QSAR) prediction values were comprehensively analyzed to identify potential estrogenic- and androgenic-active substances. The NAM approach may be effectively utilized to prioritize high-risk EDCs associated with exposure levels of pesticides in humans and to determine the requirement of additional animal testing. This suggests the potential of NAM as a useful tool for risk management of pesticides.