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- W2368753592 abstract "Nitrofurans have drawn much research attention due to their intensive toxicity and carcinogenic effect. The interaction between nitrofurans and human serum albumin was investigated using molecular mechanics simulations. The results showed that the binding energy between human serum albumin and furazolidone, furaltadone or nitrofurantoin was-2005.00,-2120.20 kJ/mol and-1949.35 kJ/mol, respectively. Strong hydrogen bond force and electrostatic force were formed between nitrofurans and the amino acid residues LYS199, SER202, PHE211, TRP214, ALA215 and ARG218 in the active site. The interaction mechanisms between nitrofunans and human serum albumin were studied at molecular level including binding sites and key groups. Our results will hopefully provide a theoretical basis for further studying in vivo transportation, distribution, toxicity and molecular design of nutrofunans." @default.
- W2368753592 created "2016-06-24" @default.
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- W2368753592 date "2013-01-01" @default.
- W2368753592 modified "2023-09-27" @default.
- W2368753592 title "Molecular Simulation of Interaction between Nitrofurans and Human Serum Albumin" @default.
- W2368753592 hasPublicationYear "2013" @default.
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