1 results match your criteria: "Skolkovo Innovation Center 143026 Moscow Russian Federation dkar89@gmail.com.[Affiliation]"
Biphenyl scaffold for the design of NMDA-receptor negative modulators: molecular modeling, synthesis, and biological activity.
RSC Med Chem
July 2022
Skolkovo Institute of Science and Technology, Skolkovo Innovation Center 143026 Moscow Russian Federation
Article Synopsis
- - NMDA receptor antagonists show potential in treating various central nervous system disorders, including major depressive disorder, and this study focuses on optimizing a specific biphenyl-based NMDA negative allosteric modulator (NAM).
- - The optimization process, guided by free energy calculations, resulted in a significant increase in activity, improving the compound's effectiveness by 100 times (IC = 50 nM) compared to an initial hit found through virtual screening.
- - Preliminary results indicate this optimized NAM has low affinity for the hERG ion channel, an earlier hurdle for similar compounds, and it exhibits a unique binding mode that differs from another related NMDA NAM called EVT-101.