Cheminformatics Analysis of the Multitarget Structure-Activity Landscape of Environmental Chemicals Binding to Human Endocrine Receptors.

ABSTRACT: In human exposome, environmental chemicals can target and disrupt different endocrine axes, ultimately leading to several endocrine disorders. Such chemicals, termed endocrine disrupting chemicals, can promiscuously bind to different endocrine receptors and lead to varying biological end points. Thus, understanding the complexity of molecule-receptor binding of environmental chemicals can aid in the development of robust toxicity predictors. Toward this, the ToxCast project has generated the largest resource on the chemical-receptor activity data for environmental chemicals that were screened across various endocrine receptors. However, the heterogeneity in the multitarget structure-activity landscape of such chemicals is not yet explored. In this study, we systematically curated the chemi

SUBMITTER: Baskaran SP 

PROVIDER: S-EPMC10753715 | biostudies-literature | 2023 Dec

REPOSITORIES: biostudies-literature