We can't find the internet
Attempting to reconnect
Something went wrong!
Hang in there while we get back on track
Unveiling the molecular interactions between bisphenol A and the cell surface Toll-like receptors: Implications for immune health
AI summary Read the abstract
Researchers used molecular modeling to investigate how bisphenol A—a chemical released by microplastics—interacts with the Toll-like receptor 4 cell surface protein, identifying binding mechanisms that could explain how plastic-associated chemicals trigger inflammatory immune responses.
Microplastic pollution is an emerging threat to the human health. In nature, microplastics release several compounds of toxicological importance. Among them, bisphenol A (BPA), a widely used additive in plastic production, is an important one. Upon breakdown, microplastics release significant amounts of BPA in air, water, and soil. Humans may be exposed to BPA through nasal, oral, and dermal routes. BPA is linked to oxidative stress, physiological disturbance, and chronic diseases. Moreover, it may target the immune system. Toll-like receptors (TLRs) are important mediators of both innate and adaptive immunity and recognize microbial signature molecules to trigger signaling cascades employed in anti-microbial defense mechanism. Inhibition of TLR-mediated signaling can result in compromised immunity. Hence, the present work aims to investigate the inhibitory potential of BPA against cell surface TLRs. For this study, a molecular docking approach using the AutoDock vina algorithm was employed to analyze the docking potential of BPA with the surface-associated TLRs. Results have revealed that BPA binds to TLR1, TLR2, TLR4, TLR5, and TLR6 with affinity ranging from -4.3 to -7.3 kcal/mol. Structural analyses of the docked complexes have suggested that BPA binds to TLR through conventional H-bonds. Van der Waals and other hydrophobic interactions further stabilized the docked complexes. Notably, C-H bonds were also apparent in some docked conformations. Hence, results of the present study equivocally suggest that BPA can potentially bind to the cell surface TLRs through various bonds and interactions. Such interactions may modulate TLR-mediated signaling and immunity in organisms.
More Papers Like This
Nanoplastics and Biostructures: Exploring the Capabilities of MD Computer Simulations
AI summary Read the abstract
Tiny plastic particles from pollution can get inside our bodies and stick to proteins and cell membranes, potentially messing with how they normally work. This review paper uses advanced computer simulations to zoom in on exactly how nanoplastics latch onto and distort these biological building blocks at the atomic level, which helps scientists better understand the health risks—like inflammation and cell damage—linked to plastic exposure without having to rely solely on animal or lab testing.
Molecular interactions and dynamics of microplastics in indoor dust with lung-inflammatory receptors: A study in academic settings
AI summary Read the abstract
Researchers used molecular simulation to study how microplastics in indoor dust interact with lung-lining lipid molecules, finding that MP surfaces adsorb lung surfactant components in ways that could impair pulmonary surfactant function and increase inflammatory signaling after inhalation.
Environmental bisphenol A exposure triggers trained immunity-related pathways in monocytes
AI summary Read the abstract
Researchers discovered that environmental exposure to bisphenol A, a chemical commonly found in plastics, can trigger a process called trained immunity in human immune cells from healthy individuals. This means that even after the chemical is removed, the immune cells remain in a heightened state of activation, which could contribute to chronic inflammation. The study is among the first to show that a plastic-derived compound can reprogram the immune system in this lasting way.
Interaction mechanism of triclosan on pristine microplastics
AI summary Read the abstract
Researchers used computational chemistry to model how the antimicrobial chemical triclosan interacts with five common types of pristine microplastics at the molecular level. They found that triclosan attaches to all microplastic surfaces through physical adsorption rather than chemical bonding, with polyamide showing the strongest attraction. The study provides molecular-level evidence that microplastics can act as carriers for personal care product chemicals in water environments.
Can the Human Plastisphere Account for the Rise of Type 1 Diabetes: A Computational Molecular Mimicry Study
AI summary Read the abstract
Researchers used AI-assisted structural modeling to test whether fragments of six common microplastics can mimic the shape of insulin and other Type 1 diabetes epitopes that bind high-risk HLA molecules, finding that several plastic polymer segments dock into HLA binding grooves with affinities comparable to known T1DM antigens—raising a computational hypothesis for molecular mimicry as a mechanism linking microplastic exposure to autoimmune diabetes.
Research digests by email
When a large batch of papers lands in the Atlas, we read through it and send a short write-up of what stood out.