Undergraduate Thesis Or Project
 

Utilization of structure-activity-relationship for predicting chemical toxicity in primary human lung cells

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https://ir.library.oregonstate.edu/concern/undergraduate_thesis_or_projects/dr26z5829

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  • There is a growing need to establish alternative approaches for assessing hazard from chemical exposure compared to the traditional method of animal testing. Approaches that relate chemical structure to biological activity are gaining acceptance in the field as in silico methods for characterizing and predicting chemical toxicity. In this study, we identified physical-chemical properties of chemicals that correlated best with their toxicity in primary human bronchial epithelial cells (HBEC). We calculated the effective concentration that causes a 50% response in cells (EC50) across multiple endpoints for more than 40 chemicals previously tested in HBEC. We looked for correlations between EC50 values and multiple physical-chemical properties of the chemicals to identify properties that are most predictive of toxicity in lung cells. This study required generation of a database of relevant physical-chemical properties for the chemicals under study. We hypothesized that certain chemical properties would show significant correlation with chemical EC50s by Pearson correlation suggesting they are relevant for the mechanism of toxicity in lung cells. We found a significant correlation between toxicity and water/octanol partitioning coefficient. Overall, these data have helped to identify chemical parameters most associated with toxicity in lung cells and can be used to prioritize additional chemicals for testing.
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