Psychedelics such as psilocybin, dimethyltryptamine, and lysergic acid diethylamide disrupt normal time perception, causing time dilation, compression, or loss of time. This opinion article integrates emerging cognitive neuroscience findings to discuss neural mechanisms behind these temporal anomalies. The authors suggest that psychedelic-induced time warps offer a new approach to studying brain correlates of the perception of the passage of time and conscious time perception. These changes may have therapeutic value for psychiatric disorders where altered time perception is central, including posttraumatic stress disorder, depression, and anxiety. Examining these time changes also highlights psychedelics' potential in shaping transformative cognitive-affective states and their clinical relevance.
Psychedelics hold therapeutic promise for central nervous system disorders but are limited by hallucinogenic side effects. Molecular dynamics simulations provide atomic-level insights into receptor interactions, helping to overcome these challenges and guide the development of safer, more effective therapies. This perspective reviews how MD simulations reveal mechanisms such as biased signaling, receptor multimerization, and lipid modulation, and discusses their role in validating cryo-EM binding sites. Challenges in force fields, structural data, and system complexity must be addressed to advance rational drug design. MD simulations are transforming psychedelic drug discovery from serendipity to precision design, with the goal of a predictive 'digital pharmacology' platform.