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Influence of the CYP1A2 c.-163 A > C polymorphism in the effect of caffeine on fat oxidation during exercise: a pilot randomized, double-blind, crossover, placebo-controlled trial
PurposeThe aim of this study was to determine the influence of the CYP1A2 c.-163 A > C (rs762551) polymorphism on the effect of oral caffeine intake...
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The effect of caffeine on exercise performance is not influenced by ADORA2A genotypes, alone or pooled with CYP1A2 genotypes, in adolescent athletes
PurposeThis study investigated the influence of the different genotypes of ADORA2A (1976 C > T, rs 5751876), alone or pooled with CYP1A2 (163 C > A...
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CYP1A2 genotype and acute ergogenic effects of caffeine intake on exercise performance: a systematic review
PurposeTo systematically review studies that examined the influence of the CYP1A2 −163C>A polymorphism on the ergogenic effects of caffeine and to...
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Quantification of Melatonin, Caffeine, and Paraxanthine in Human Plasma Using Liquid Chromatography-Tandem Mass Spectrometry
Melatonin (MEL) and caffeine (CA) are mediated by cytochrome P450 1A2 (CYP1A2), and the plasma concentration of MEL is reportedly affected by CA...
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In vitro antioxidant activities and in silico molecular docking studies of N-substituted oxime derivatives
New N-substituted oxime derivatives (5b, 5d-g, 5i-k, and 5m) and known compounds (5a, 5c, 5h, 5g, 5l, and 5n-q) were obtained by reacting phenyl and...
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Machine learning to predict metabolic drug interactions related to cytochrome P450 isozymes
Drug–drug interaction (DDI) often causes serious adverse reactions and thus results in inestimable economic and social loss. Currently, comprehensive...
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Effects of Coffee and Caffeine on Mood and Mood Disorders
Caffeine is one of the world’s most frequently consumed psychoactive substances. Caffeine is widely recognized for its impact on alertness and its...
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Molecular docking, PKPD, and assessment of toxicity of few chalcone analogues as EGFR inhibitor in search of anticancer agents
In the present work, molecular docking of the chalcone analogues with receptor EGFR carried out using erlotinib as reference drug is reported. About...
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The effect of obesity, macronutrients, fasting and nutritional status on drug-metabolizing cytochrome P450s: a systematic review of current evidence on human studies
BackgroundCytochrome P450s (CYPs) are a class of hemoproteins involved in drug metabolism. It has been reported that body composition, proportion of...
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Self-reported caffeine consumption miss-matched consumption measured by plasma levels of caffeine and its metabolites: results from two population-based studies
Importance and objectiveSelf-reported caffeine consumption has been widely used in research while it may be subject to bias. We sought to investigate...
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Inhibition of monoamine oxidases by benzimidazole chalcone derivatives
Ten benzimidazole chalcone derivatives were synthesized, and their monoamine oxidase (MAO) inhibitory activity was evaluated. Most compounds showed...
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Development of morpholine ring-bearing halogenated α,β-unsaturated ketones as selective monoamine oxidase-B inhibitors
Nine morpholine-derived halogenated chalcone derivatives ( MHC1 - MHC9 ) were synthesized, and their inhibitory activity against monoamine oxidase (MAO)...
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Synthesis, Molecular Docking Analysis and In vitro Evaluation of Potential Anti-Diabetic Candidates with Harnessing the Effectiveness of Scoparia Dulcis Plant
PurposeNatural products have involved and persistent in playing an essential part for the search of novel entities in the treatment of various...
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In silico identification of novel stilbenes analogs for potential multi-targeted drugs against Alzheimer’s disease
ContextAlzheimer’s disease (AD) is a chronic progressive neurodegenerative syndrome, which adversely disturbs cognitive abilities as well as...
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Exploring the Chemical Space of Proluciferins as Probe Substrates for Human Cytochrome P450 Enzymes
We report the synthesis of 21 new proluciferin compounds that bear a small aliphatic ether group connected to the 6’ hydroxy function of firefly...
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Tandem Synthesis of Novel thiazole-substituted pyrrolo[1,2-d][1,2,4]triazin-4(3H)-one Derivatives and their Theoretical Pharmacokinetic Profiles
In this study, a new tandem method was developed for the synthesis of thiazole-substituted pyrrolo[1,2- d ][1,2,4]triazin-4(3 H )-one derivatives. The...
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Persuasive phytoestrogenic imidazole-based selenium N-heterocyclic carbenes: electronic, structural, and in silico anticancer potential investigations
The cellular antioxidant defense mechanism against reactive oxygen species (ROS) depends on selenium, a vital trace element. Numerous...
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A Computational Study of Carbazole Alkaloids from Murraya koenigii as Potential SARS-CoV-2 Main Protease Inhibitors
Despite COVID-19 vaccination, immune escape of new SARS-CoV-2 variants has created an urgent priority to identify additional antiviral drugs....
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In Silico Evaluation of Bioactive Compounds of Citrullus lanatus as Potential Noncovalent KRAS Inhibitors in the Treatment of Human Cancer
Cancer deaths and other dangerous symptoms associated with it make the search for therapies to combat it a necessity. The use of drugs has been...
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Structure-based virtual screening for identification of potential CDC20 inhibitors and their therapeutic evaluation in breast cancer
Cell division cycle 20 (CDC20), a critical partner of anaphase promoting complex (APC/C), is indispensably required for metaphase-to-anaphase...
