Data on ADME parameters of bisphenol A and its metabolites for use in physiologically based pharmacokinetic modelling

Abbreviations: ADAM, advanced dissolution, absorption and metabolism; ADME, absorption, distribution, metabolism, excretion; AUC, area under the concentration-time curve; B/P ratio, blood-to-plasma concentration ratio; BPA, bisphenol A; BPAG, glucuronidated BPA; BPAS, sulfated BPA; BW, body weight; CES, carboxylesterase; Cmax, maximum concentra-tion in plasma; CLint, in vitro intrinsic clearance; CLiv , total intravenous clearance; CLperm, permeability clearance; CLrenal, renal clearance; CLint,bile, in vitro intrinsic biliary clearance; CLuint,G, net intrinsic metabolic clearance in the gut based on unbound BPA concentration; CL int,gutlumen, gut lumen intrinsic clearance; EHR, enterohepatic recirculation; fa, fraction absorbed; fugut, fraction of BPA unbound in the enterocyte; fuinc, fraction unbound in in vitro incubation; fumic, frac-tion unbound in microsomal incubation; fup, fraction unbound in plasma; Fg, fraction of BPA escaping gut metabolism; HBD, number of hydrogen bond donors; HPGL, hepatocytes per gram of liver; IV, intravenous; IVIVE, in vitro to in vivo extrapolation; ka, absorption rate constant; Ka, acid dissociation constant; Km, Michaelis-Menten constant; Kp, tissue -to-plasma partition coefficient; MechPeff, mechanistic permeability; MPPGL, microsomal protein per gram of liver; MW, molecular weight; Qgut, hybrid parameter of blood flow and compound permeability through enterocytes; QSAR, quanti-tative structure-activity relationship; P , octanol:water partition coefficient; Papp, apparent permeability; Peff,man, effective intestinal permeability in human; PBPK, physiologically based pharmacokinetics; PSA, polar surface area; RAF, relative activity factor; rhUGT, recombinant human UGT; SULT, sulfotransferase; UGT, UDP-glucuronosyltransferase; Vmax, maxi-mum velocity; Vss, volume of distribution at steady-state.

Automated summary

This paragraph mainly explains abbreviations related to drug metabolism and clearance, including parameters and indicators such as absorption, distribution, metabolism, and excretion.