In silico insights into the design of novel NR2B-selective NMDA receptor antagonists: QSAR modeling, ADME-toxicity predictions, molecular docking, and molecular dynamics investigations

Abstract Based on a structural family of thirty-two NR2B-selective N-Methyl-D-Aspartate receptor (NMDAR) antagonists, two phenylpiperazine derivatives labeled C37 and C39 were conceived thanks to molecular modeling techniques, as novel NMDAR inhibitors exhibiting the highest analgesic activities (of...

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Principais autores:	Mohamed El fadili, Mohammed Er-rajy, Somdutt Mujwar, Abduljelil Ajala, Rachid Bouzammit, Mohammed Kara, Hatem A. Abuelizz, Sara Er-rahmani, Menana Elhallaoui
Format:	Artigo
Jezik:	Inglês
Izdano:	BMC 2024-07-01
Serija:	BMC Chemistry
Teme:	NMDA receptor Analgesic activity Molecular modeling Neuropathic pain MD
Online dostop:	https://doi.org/10.1186/s13065-024-01248-6
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