Abstract Precise control over the thermodynamics and kinetics of receptor–ligand interactions is pivotal for manipulating physiological processes and developing targeted therapies. However, conventional pharmacological approaches often lack the spatiotemporal precision required for noninvasive in vivo modulation. Terahertz (THz) technology offers a promising alternative by using nonionizing...
Psychedelics show great promise for treating Central Nervous System (CNS) disorders but are limited by side effects like hallucinations. Molecular dynamics (MD) simulations offer atomic-level insights into receptor interactions, helping to overcome these challenges and guide the development of safer, more effective psychedelic-based therapies. This perspective reviews how MD simulations provide...
Neuropsychiatric disorders reflect disruptions in brain network dynamics along an "order-complexity-chaos" continuum. Psychedelics may therapeutically increase neural entropy, disrupt maladaptive patterns, and promote network reorganization. This system-level framework emphasizes dynamic connectome remodeling over static molecular correction, offering a novel strategy for treating psychiatric...
Depression, a pervasive mental health condition, has increasingly been linked to neuroinflammation, as evidenced by elevated levels of pro-inflammatory markers such as TNF-α and IL-1β observed in patients, which underscores the role of inflammation in its pathophysiology. This study investigates the differential effects of S-ketamine (S-KET) and R-ketamine (R-KET) on inflammation-induced...
Recent advancements in the study of mushroom-derived tryptamines, particularly psilocybin and its metabolite psilocin, highlight their unique psychedelic properties and potential therapeutic applications, especially for mental health conditions like depression. This study examines how the position of the hydroxyl group on the indole ring affects the 5-HT2A receptor activity and psychedelic-like...