TY - JOUR
T1 - Computational Analysis of the Binding Mechanism of GenX and HSA
AU - Delva-Wiley, Jeannette
AU - Jahan, Israt
AU - Newman, Robert H
AU - Zhang, Lifeng
AU - Dong, Ming
PY - 2021/11/2
Y1 - 2021/11/2
N2 - 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.
AB - 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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U2 - 10.1021/acsomega.1c04592
DO - 10.1021/acsomega.1c04592
M3 - Article
SN - 2470-1343
VL - 6
SP - 29166
EP - 29170
JO - ACS Omega
JF - ACS Omega
IS - 43
ER -
