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QSAR, ADME-Tox, molecular docking and molecular dynamics simulations of novel selective glycine transporter type 1 inhibitors with memory enhancing properties

A structural class of forty glycine transporter type 1 (GlyT1) inhibitors, was examined using molecular modeling techniques. The quantitative structure-activity relationships (QSAR) technology confirmed that human GlyT1 activity is strongly and significantly affected by constitutional, geometrical,...

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Principais autores: Mohamed El fadili, Mohammed Er-rajy, Hamada Imtara, Omar M. Noman, Ramzi A. Mothana, Sheaf Abdullah, Sara Zerougui, Menana Elhallaoui
פורמט: Artigo
שפה:Inglês
יצא לאור: Elsevier 2023-02-01
סדרה:Heliyon
נושאים:
QSAR
GlyT1
ADME-Tox
CNS
DAT
Molecular docking
גישה מקוונת:http://www.sciencedirect.com/science/article/pii/S2405844023009131
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