Abstract:
AIM To develop a 3D-QSAR model and gain further insights into the common requirements for the binding of structurally diverse antagonists at the glycine site of the NMDA receptor. METHODS AND RESULTS Based on comparative molecular field analysis(CoMFA), a predictive pharmacophore model was established. The correlation between the activities and structures was significant with cross-validated value(R
2cv), non-cross-validated value(R
2) and standard error of estimate(SEE) of 0.650, 0.940 and 0.330, respectively. CONCLUSION The obtained model successfully mimics the steric and electrostatic environment around ligands interacting with the receptor. It would contribute to the understanding of the pharmacology of antagonists at the glycine site of the NMDA receptor and direct designation of novel potent lead molecules.