Cannabidiol (CBD) has numerous therapeutic properties, and is used to treat neurological conditions, such as neuroinflammation. However, the optimal dose of CBD to penetrate the brain requires further investigation. The primary aim of this study was to use a mouse model and the intrabuccal route for CBD administration to determine the optimal dose at ...
Oluwadara Pelumi Omotayo+4 more
wiley +1 more source
Membrane phospholipid augments cytochrome P4501a enzymatic activity by modulating structural conformation during detoxification of xenobiotics. [PDF]
Cytochrome P450 is a superfamily of membrane-bound hemoprotein that gets involved with the degradation of xenobiotics and internal metabolites. Accumulated body of evidence indicates that phospholipids play a crucial role in determining the enzymatic ...
Manik C Ghosh, Arun K Ray
doaj +1 more source
The evolution and structure of biomedical knowledge on cytochrome P450 [PDF]
Cytochrome P450 are fundamental proteins to the metabolism of drugs and other relevant processes. through a combination of text mining and network analysis of the P450 literature we mapped the emergence and evolution of the biomedical research communities working on this family of proteins.
arxiv
Structural and biochemical data demonstrate that 4‐phenylbenzoic acid binds within the active site of the cytochrome P450 monooxygenase CYP199A4, but no oxidation occurs. Protein engineering and molecular dynamic simulations establish that aromatic oxidation is enabled by a subtle shift of the substrate relative to the heme, thus improving our ...
Tom Coleman+9 more
wiley +1 more source
The di-flavoenzyme reductase directly activates oxygen for the metabolism of diverse drug molecules by liver microsomal Cytochrome P450s [PDF]
This submission has been withdrawn by arXiv administration due to complaints of misuse of institutional affiliation.
arxiv
Prediction of Cytochrome P450-Mediated Metabolism Using a Combination of QSAR Derived Reactivity and Induced Fit Docking [PDF]
Prediction of metabolism in cytochrome P450s remains to be a crucial yet challenging topic in discovering and designing drugs, agrochemicals and nutritional supplements. The problem is challenging because the rate of P450 metabolism depends upon both the intrinsic chemical reactivity of the site and the protein-ligand geometry that is energetically ...
arxiv
Reducing the runtime of fault-tolerant quantum simulations in chemistry through symmetry-compressed double factorization [PDF]
Quantum phase estimation based on qubitization is the state-of-the-art fault-tolerant quantum algorithm for computing ground-state energies in chemical applications. In this context, the 1-norm of the Hamiltonian plays a fundamental role in determining the total number of required iterations and also the overall computational cost.
arxiv +1 more source
Targeting cytochrome C oxidase in mitochondria with Pt(II)-porphyrins for Photodynamic Therapy [PDF]
Mitochondria are the power house of living cells, where the synthesis of the chemical "energy currency" adenosine triphosphate (ATP) occurs. Oxidative phosphorylation by a series of membrane protein complexes I to IV, that is, the electron transport chain, is the source of the electrochemical potential difference or proton motive force (PMF) of protons
arxiv +1 more source
In-silico study of some natural compounds used as antifungal agents against Candida albicans
Fungal diseases are very common these days, so there is a high need to design and develop new antifungal drugs that can counter these diseases. Candida albicans is one of the opportunistic pathogenic yeasts that can cause serious diseases such as ...
Ankita Srivastava, Neelabh -
doaj
The demonstration of in vivo arachidonic acid epoxidation and ω-hydroxylation established the cytochrome P450 epoxygenase and ω/ω–1 hydroxylase as formal metabolic pathways and as members of the arachidonate metabolic cascade. The characterization of the
Jorge H. Capdevila+2 more
doaj