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Influence of metabolism on endocrine activities of bisphenol S.
It is demonstrated that hydroxylation of the aromatic ring of BPS, catalyzed mainly by the cytochrome P450 enzymes CYP3A4 and CYP2C9, is its major in-vitro phase I biotransformation. Expand
Bioactivation of bisphenol A and its analogs (BPF, BPAF, BPZ and DMBPA) in human liver microsomes.
It is confirmed that BPA and its structural analogs form hydroxylated metabolites and electrophilic species during bioactivation in HLM and CYP isozymes, which provided important mechanistic insight into the metabolic fate of BPAStructural analogs in vitro. Expand
Structure-based design of a new series of D-glutamic acid based inhibitors of bacterial UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase (MurD).
A new series of D-glutamic acid-based Escherichia coli MurD inhibitors incorporating the 5-benzylidenethiazolidin-4-one scaffold endowed with improved MurD inhibitory potency is designed and synthesized. Expand
Dual Inhibitor of MurD and MurE Ligases from Escherichia coli and Staphylococcus aureus.
The first d-glutamic acid-containing dual inhibitor of MurD and MurE ligases from Escherichia coli and Staphylococcus aureus possessing antibacterial activity against Gram-positive S. aureu and its methicillin-resistant strain (MRSA) was found to be noncytotoxic for human HepG2 cells at concentrations below 200 μM. Expand
Investigation of the Influence of CYP 1 A 2 and CYP 2 C 19 Genetic Polymorphism on 2-Cyano-3-hydroxy-N-[ 4-( trifluoromethyl ) phenyl ]-2-butenamide ( A 77 1726 ) Pharmacokinetics in
Leflunomide is a disease-modifying antirheumatic drug used for the treatment of rheumatoid arthritis (RA). Cytochromes P450, mainly CYP1A2 and CYP2C19, may be involved in the transformation ofExpand
Bisphenol A and its analogs: Do their metabolites have endocrine activity?
Structural analogs of bisphenol A are commonly used as its alternatives in industrial and commercial applications. Nevertheless, the question arises whether the use of other bisphenols is justifiedExpand
Estrogenic and androgenic activities of TBBA and TBMEPH, metabolites of novel brominated flame retardants, and selected bisphenols, using the XenoScreen XL YES/YAS assay.
Based on the activities of BPAF, BPF, BPA and MBP, the XenoScreen XL YES/YAS assay gives comparable results to the (anti)estrogenic or (anti-androgenic assays that are reported in the literature. Expand
In silico discovery of 2-amino-4-(2,4-dihydroxyphenyl)thiazoles as novel inhibitors of DNA gyrase B.
An in silico virtual screening campaign was designed combining molecular docking calculations with three-dimensional structure-based pharmacophore information, and a novel class of 2-amino-4-(2,4-dihydroxyphenyl)thiazole based inhibitors with low micromolar antigyrase activity was discovered. Expand
New 5-benzylidenethiazolidin-4-one inhibitors of bacterial MurD ligase: design, synthesis, crystal structures, and biological evaluation.
High-resolution crystal structures of MurD in complex with two new inhibitors reveal details of their binding modes within the active site and provide valuable information for further structure-based optimization. Expand