ArticleFrontiers in molecular biosciences2021
Pathways and Mechanism of Caffeine Binding to Human Adenosine A
Article in Frontiers in molecular biosciences, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers, 1 of them a synthesis that pooled it.
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The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
17 citing papers in PubMed, 1 synthesis or guideline pooled it, 25 citations in OpenAlex.
- Nutritional supplements to improve esports player performance: a systematic review of randomized controlled trials.Journal of the International Society of Sports Nutrition · 2026Pooled it
- Effects of caffeine gum on same-day and subsequent neuromuscular performance under a standardized resistance-priming condition in male basketball players.Journal of the International Society of Sports Nutrition · 2026Trial
- Effects of Acute Guarana (Nutrients · 2024Trial
- Molecular Insights into Caffeine Stacking, Partitioning, and Organization in DPPC Lipid Bilayers from Microseconds-Long Molecular Dynamics Simulations.International journal of molecular sciences · 2026Article
- Review
- Arabica coffee oil extract enhances neuronal resilience under hypoxic stress through HIF-1α and EGFR signaling modulation.BMC complementary medicine and therapies · 2026Article
- Investigating the binding mechanism of AML inhibitors based on panobinostat with HDAC3 proteins using Gaussian accelerated molecular dynamics.RSC advances · 2025Article
- Diverse toxins exhibit a common binding mode to the nicotinic acetylcholine receptors.Biophysical journal · 2025Article
- The mediating role of caffeine and biological age in the association between dietary index for gut microbiota and osteoporosis.Frontiers in nutrition · 2025Article
- Possible Combinatorial Utilization of Phytochemicals and Extracellular Vesicles for Wound Healing and Regeneration.International journal of molecular sciences · 2024Review
- TRPA1, TRPV1, and Caffeine: Pain and Analgesia.International journal of molecular sciences · 2024Review
- Timing Matters: Time of Day Impacts the Ergogenic Effects of Caffeine-A Narrative Review.Nutrients · 2024Review
- Article
- Letter: Caffeine and fractional flow reserve overestimation: a word of caution.EuroIntervention : journal of EuroPCR in collaboration with the Working Group on Interventional Cardiology of the European Society of Cardiology · 2022Article
- Gaussian Accelerated Molecular Dynamics in OpenMM.The journal of physical chemistry. B · 2022Article
- Molecular Simulations and Drug Discovery of Adenosine Receptors.Molecules (Basel, Switzerland) · 2022Review
- GLOW: A Workflow Integrating Gaussian-Accelerated Molecular Dynamics and Deep Learning for Free Energy Profiling.Journal of chemical theory and computation · 2022Article
Corrections and comments
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
Abstract
Caffeine (CFF) is a common antagonist to the four subtypes of adenosine G-protein-coupled receptors (GPCRs), which are critical drug targets for treating heart failure, cancer, and neurological diseases. However, the pathways and mechanism of CFF binding to the target receptors remain unclear. In this study, we have performed all-atom-enhanced sampling simulations using a robust Gaussian-accelerated molecular dynamics (GaMD) method to elucidate the binding mechanism of CFF to human adenosine A
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.