Publications by authors named "Roslin Elsa Varughese"
GPR55, an orphan GPCR, holds significance in the context of neurological disorders and its activation is important for regulating neurological responses. This has led us to uncover and explore a set of ligands which may act as potential agonists. We have predicted the GPR55 structural model followed by molecular docking, dynamics simulation studies, free energy landscape and MMPBSA analyses to study the dynamic nature of GPR55 in the presence of different ligands.
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- * The study involves predicting the 3D model of GPR78, conducting virtual screening for potential drug compounds, and simulating their interactions in a lipid environment to analyze binding energies and dynamics.
- * Findings reveal that lead compounds interact favorably with GPR78, indicating its dynamic nature and suggesting that targeting this orphan receptor could lead to new treatments for CNS-related disorders.