Results 31 to 40 of about 778,835 (257)

Systematic Quantum Mechanical Region Determination in QM/MM Simulation [PDF]

Journal of Chemical Theory and Computation 2017, 2017
Hybrid quantum mechanical-molecular mechanical (QM/MM) simulations are widely used in enzyme simulation. Over ten convergence studies of QM/MM methods have revealed over the past several years that key energetic and structural properties approach asymptotic limits with only very large (ca. 500-1000 atom) QM regions.
arxiv   +1 more source

Protein-protein interactions enhance the thermal resilience of SpyRing enzymes: a molecular dynamic simulation study [PDF]

, 2021
Recently a technique based on the interaction between adhesion proteins extracted from Streptococcus pyogenes, known as SpyRing, has been widely used to improve the thermal resilience of enzymes, the assembly of biostructures, cancer cell recognition and other fields.
arxiv   +1 more source

Evidence that isoniazid and ethanol induce the same microsomal cytochrome P-450 in rat liver, an isozyme homologous to rabbit liver cytochrome P-450 isozyme 3a [PDF]

, 1986
Cytochrome P-450j has been purified to electrophoretic homogeneity from hepatic microsomes of adult male rats administered ethanol and compared to the corresponding enzyme from isoniazid-treated rats.
Cleveland, Comai, Conney, Coon, Coon, Dignam, French, Gadeholt, Greenlee, Gustafsson, Hawke, Hutton, Ingelman-Sundberg, Kapitulnik, Koop, Koop, Koop, Koop, Kupfer, Laemmli, Lieber, Lieber, Lowry, Lu, Mieyal, Miller, Morgan, Morgan, Nebert, Netter, Numazawa, Ohnishi, Omura, Peng, Phillips, Rice, Rice, Ryan, Ryan, Ryan, Ryan, Ryan, Ryan, Sharma, Sladek, Thomas, Thomas, Thomas, Thomas, Thomas, Tomaszewski, van der Hoeven, Villeneuve, Wood, Wray, Yang, Yang, Yasukochi   +57 more
core   +1 more source

Effects of chronic cirrhosis induced by intraperitoneal thioacetamide injection on the protein content and Michaelis–Menten kinetics of cytochrome P450 enzymes in the rat liver microsomes

Basic &Clinical Pharmacology &Toxicology, Volume 132, Issue 2, Page 197-210, February 2023., 2023
Abstract Chronic intraperitoneal injection of thioacetamide (TAA) in rats has been used as an animal model of human cirrhosis to study the effects of the disease on drug metabolism. However, TAA inhibits P450 enzymes directly and independently of cirrhosis. We investigated the effects of chronic cirrhosis in rats, induced by 10 weeks of intraperitoneal
Devaraj Venkatapura Chandrashekar, Barent N. DuBois, Mamunur Rashid, Reza Mehvar   +3 more
wiley   +1 more source

Mathematical Model for Chemical Reactions in Electrolyte Applied to Cytochrome $c$ Oxidase: an Electro-osmotic Approach [PDF]

arXiv, 2022
A mathematical model for chemical reactions in electrolytes is developed using an Energy variational method consistent with classical thermodynamics. Electrostatics and chemical reactions are included in properly defined energetic and dissipative functionals.
arxiv  

Medicinal importance of grapefruit juice and its interaction with various drugs [PDF]

, 2007
Grapefruit juice is consumed widely in today's health conscious world as a protector against cardiovascular diseases and cancers. It has however, been found to be an inhibitor of the intestinal cytochrome P – 450 3A4 system, which is responsible for the ...
A Dahan, A Miniscalco, A Soldner, AA Hollander, AJ Lee, B Edgar, C Goho, CC Libersa, D Demarles, DG Bailey, DG Bailey, DG Bailey, DG Bailey, DG Bailey, DG Bailey, DG Bailey, DG Bailey, DG Bailey, DG Bailey, DJ Edwards, DJ Edwards, DJ Greenblatt, EM Offman, F Lohezic-Le Devehat, FV So, GC Kane, GK Dresser, GK Dresser, GK Dresser, H Christensen, H Sigusch, H Takanaga, H Takanaga, HH Kupferschmidt, HH Kupferschmidt, HH Kupferschmidt, HH Kupferschmidt, Hr Ha, HY Lane, J Lundahl, J Lundahl, J Lundahl, J Nagy, J Vanakoski, J Vincent, Jawad Kiani, JD Rogers, JJ Cerda, JJ Lilja, JJ Lilja, JJ Lilja, JN Van den Anker, K Fukuda, K Mohri, KL Cheng, KS Lown, KT Kivisto, KT Kivisto, KT Kivisto, LC Floren, LJ Brunner, LJ Brunner, LL Ioannides-Demos, LQ Guo, M Hermann, M Ohtani, M Saito, MA Van Agtmael, MA Van Agtmael, MJ Shelton, N Castro, N Guthrie, N Kumar, N Le Goff-Klein, N Romiti, N Yasui, N Yasui, P Damkier, P Schmiedlien-Ren, PA Soons, PC Ho, PK Honig, QY Zhang, S Reif, SA Ross, Sardar Z Imam, SE Rau, SK Garg, SK Hukkinen, SM Kakar, SR Penzak, T Kantola, U Fuhr, U Fuhr, U Fuhr, V Andersen, Y Honda, Z Desta   +97 more
core   +4 more sources

Diversification linked to larval host plant in the butterfly Eumedonia eumedon

Molecular Ecology, Volume 32, Issue 1, Page 182-197, January 2023., 2023
Abstract It is widely accepted that the relationship between phytophagous insects and their host plants influences insect diversification. However, studies addressed at documenting host‐associated genetic differentiation (HAD) and the mechanisms that drive reproductive isolation in host‐associated lineages (or host races) are still scarce relative to ...
Joan C. Hinojosa, Cecilia Montiel‐Pantoja, Miguel Sanjurjo‐Franch, Isabel Martínez‐Pérez, Kyung Min Lee, Marko Mutanen, Roger Vila   +6 more
wiley   +1 more source

Alcohol metabolism and toxicity: Role of cytochrome P-450 [PDF]

, 1984
A new isozyme of cytochrome P-450, designated form 3a on the basis of its relative electrophoretic mobility, has been purified to homogeneity from liver microsomes of rabbits treated chronically with ethanol.
Coon, Minor J., Crump, Becky L., Koop, Dennis R., Reeve, Lorraine E.   +3 more
core   +1 more source

Comparison of six rabbit liver cytochrome P-450 isozymes in formation of a reactive metabolite of acetaminophen [PDF]

, 1983
This laboratory has recently reported the isolation of an ethanol-inducible form of rabbit liver microsomal cytochrome P-450, designated isozyme 3a. In view of the reports of others that the hepatotoxicity of acetaminophen is increased in ethanol-treated
Coon, Minor J., Koop, Dennis R., Morgan, Edward T.   +2 more
core   +2 more sources

Highly purified detergent-solubilized NADPH-cytochrome P-450 reductase from phenobarbital-induced rat liver microsomes [PDF]

, 1974
NADPH-cytochrome P-450 reductase was highly purified from liver microsomes of phenobarbital-induced rats by column chromatography on DEAE-cellulose, DEAE-Sephadex A-50, and hydroxylapatite in the presence of deoxycholate or Renex 690, a nonionic ...
Autor, Coon, Faeder, Fujita, Ichihara, Iyanagi, King, Laemmli, Levin, Lowry, Lu, Lu, Lu, Lu, Masters, Pederson, Satake, Strobel, Swingle, van der Hoeven, van der Hoeven, Weber, Welton, Williams   +23 more
core   +1 more source