Detoxification of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) by cytochrome P450 enzymes: A theoretical investigation.
Lanzhou, China. In J Inorg Biochem, Jan 2016
Two types of detoxification routes, N-demethylation to form 4-phenyl-1,2,3,6-tetrahydropyridine (PTP) and aromatic hydroxylation to generate 4-(4'-hydroxyphenyl)-1-methyl-1,2,3,6-tetrahydropyridine (MPTP-OH), for 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) mediated by Compound I (Cpd I) of cytochrome P450 are investigated theoretically using hybrid density functional calculations.
Toxicity Originating from Thiophene Containing Drugs: Exploring the Mechanism using Quantum Chemical Methods.
India. In Chem Res Toxicol, Jan 2016
Density functional theory was utilized (i) to explore the molecular mechanism for S-oxidation and epoxidation using the radical cationic center Cpd I [(iron(IV)-oxo-heme porphine system with SH(-) as the axial ligand, to mimic CYP450s] as the model oxidant, (ii) to establish the 3D structures of the reactants, transition states, and products on both the metabolic pathways, and (iii) to examine the potential energy (PE) profile for both the pathways to determine the energetically preferred toxic metabolite formation.
Generation and characterization of the Anp32e-deficient mouse.
Singapore, Singapore. In Plos One, 2009
combined deletion of Anp32a and Anp32e also resulted in a viable and apparently healthy mouse. SIGNIFICANCE: These results provide evidence that significant functional redundancy exists among Anp32 family members