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Computational Analysis of the Binding Mechanism of GenX and HSA
Jeannette Delva-Wiley1,2, Israt Jahan3, Robert H Newman2
1Department of Chemistry, North Carolina Agricultural and Technical State University, Greensboro, North Carolina 27411, United States.
Abstract:
One PFOS alternative, ammonium 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy) propanoate, known as GenX, was created to replace one of the original PFAS. This small and tough molecule has been found in surface water, groundwater, drinking water, rainwater, and air emissions in some areas in the United States. Recently, GenX has been shown to have an impact on several disease-related proteins in humans, and just like PFOS, it binds to human protein human serum albumin (HSA). In this paper, we reported four binding sites of GenX on HSA protein via docking and molecular dynamics simulation.
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