Research Keyword: Molecular dynamics simulations

Identification of 5-HT2A receptor signaling pathways associated with psychedelic potential

Scientists discovered that psychedelic drugs work by activating a specific signaling pathway in the brain called the 5-HT2A-Gq pathway. By creating new drug-like molecules, they found that drugs need to strongly activate this particular pathway to produce psychedelic effects like hallucinations. This discovery could help researchers design new psychiatric medicines that have therapeutic benefits without the hallucinogenic side effects that worry doctors and patients.

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Molecular insights into the modulation of the 5HT 2A receptor by serotonin, psilocin, and the G protein subunit Gqα

This study uses computer simulations to understand how psilocin (the active compound in magic mushrooms) and serotonin interact with a brain receptor called 5HT 2A R. The research shows that both molecules prefer to bind to a deeper part of the receptor rather than a shallower area, and that a protein called Gqα is essential for keeping the receptor in its active state. These findings could help scientists develop better medicines for depression and anxiety.

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Intrinsic determinants of prion protein neurotoxicity in Drosophila: from sequence to (dys)function

Prion diseases are deadly brain conditions caused by misfolded proteins. This study used computer simulations and fruit fly experiments to understand how tiny changes in prion protein structure affect its ability to cause disease. Researchers found that proteins with flexible loops are more toxic, while those with more rigid structures cause less damage, suggesting new ways to develop treatments by stabilizing the protein’s structure.

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