[HTML][HTML] Paroxetine—overview of the molecular mechanisms of action

M Kowalska, J Nowaczyk, Ł Fijałkowski… - International Journal of …, 2021 - mdpi.com
In the 21st century and especially during a pandemic, the diagnosis and treatment of
depression is an essential part of the daily practice of many family doctors. It mainly affects …

Advancing insights on β-cyclodextrin inclusion complexes with SSRIs through lens of X-ray diffraction and DFT calculation

T Aree - International Journal of Pharmaceutics, 2021 - Elsevier
Depression—the global crisis hastened by the coronavirus outbreak, can be efficaciously
treated by the selective serotonin reuptake inhibitors (SSRIs). Cyclodextrin (CD) inclusion …

[HTML][HTML] Analysis of cytochrome P450 CYP119 ligand-dependent conformational dynamics by two-dimensional NMR and X-ray crystallography

D Basudhar, Y Madrona, S Kandel, JN Lampe… - Journal of Biological …, 2015 - ASBMB
Defining the conformational states of cytochrome P450 active sites is critical for the design of
agents that minimize drug-drug interactions, the development of isoform-specific P450 …

[HTML][HTML] Insights into the Role of Substrates on the Interaction between Cytochrome b5 and Cytochrome P450 2B4 by NMR

M Zhang, SV Le Clair, R Huang, S Ahuja, SC Im… - Scientific reports, 2015 - nature.com
Mammalian cytochrome b 5 (cyt b 5) is a membrane-bound protein capable of donating an
electron to cytochrome P450 (P450) in the P450 catalytic cycle. The interaction between cyt …

Structural and biophysical characterization of human cytochromes P450 2B6 and 2A6 bound to volatile hydrocarbons: analysis and comparison

MB Shah, PR Wilderman, J Liu, HH Jang, Q Zhang… - Molecular …, 2015 - ASPET
X-ray crystal structures of complexes of cytochromes CYP2B6 and CYP2A6 with the
monoterpene sabinene revealed two distinct binding modes in the active sites. In CYP2B6 …

Structure-function analysis of mammalian CYP2B enzymes using 7-substituted coumarin derivatives as probes: utility of crystal structures and molecular modeling in …

MB Shah, J Liu, L Huo, Q Zhang, MD Dearing… - Molecular …, 2016 - ASPET
Crystal structures of CYP2B35 and CYP2B37 from the desert woodrat were solved in
complex with 4-(4-chlorophenyl) imidazole (4-CPI). The closed conformation of CYP2B35 …

Ordered chimerogenesis applied to CYP2B P450 enzymes

T Lautier, P Urban, J Loeper, L Jezequel… - … et Biophysica Acta (BBA …, 2016 - Elsevier
Background Structural studies on CYP2B enzymes identified some of the features that are
related to their high plasticity. The aim of this work was to understand further the possible …

Dissecting the structural plasticity and dynamics of cytochrome P450 2B4 by molecular dynamics simulations

J Li, Y Zhou, Y Tang, W Li, Y Tu - Journal of Chemical Information …, 2020 - ACS Publications
The plasticity of cytochromes P450 (P450s) is known to contribute significantly to their
catalytic capacity of metabolizing various substrates. Although numerous studies have been …

Coumarin derivatives as substrate probes of mammalian cytochromes P450 2B4 and 2B6: assessing the importance of 7-alkoxy chain length, halogen substitution …

J Liu, MB Shah, Q Zhang, CD Stout, JR Halpert… - Biochemistry, 2016 - ACS Publications
Using a combined structural and biochemical approach, the functional importance of a
recently described peripheral pocket bounded by the E-, F-, G-, and I-helices in CYP2B4 and …

Interaction of drugs amlodipine and paroxetine with the metabolizing enzyme CYP2B4: a molecular dynamics simulation study

A Yousefpour, H Modarress, F Goharpey… - Journal of Molecular …, 2018 - Springer
The interactions of the drugs amlodipine and paroxetine, which are prescribed respectively
for treatment of hypertension and depression, with the metabolizing enzyme cytochrome …