Membranes, Journal Year: 2024, Volume and Issue: 15(1), P. 4 - 4

Published: Dec. 26, 2024

Thirty-seven steroid drugs of different types were investigated in silico for their environmental and pharmacokinetic properties (partition between soil water, bioaccumulation aquatic organisms, ability to be absorbed from the gastrointestinal tract cross biological barriers-skin, blood-brain barrier placenta) using on-line tools novel QSAR models. The same studied by Molecular Docking context interact with two enzymes-glutathione S-transferase (GST) human N-acetyltransferase 2 (NAT2), which are involved placenta's protective system against harmful xenobiotics. Steroid released environment households, hospitals, manufacturing plants farms (e.g., natural fertilizers) they can affect life (reproduction development organisms), even at sub-ng/L concentrations. It was established that majority mobile soil, so may reach surface waters far point discharge, e.g., farming; however, only a few them likely bioaccumulate. All orally or through skin, also expected placenta. Over 30% compounds pass (although five this group P-gp substrates, reduce activity central nervous systems); have very high affinity both enzymes.

Language: Английский