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

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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Bibliographic Details
Main Authors: Mohamed El fadili, Mohammed Er-rajy, Hamada Imtara, Omar M. Noman, Ramzi A. Mothana, Sheaf Abdullah, Sara Zerougui, Menana Elhallaoui
Format: Article
Language:English
Published: Elsevier 2023-02-01
Series:Heliyon
Subjects:
QSAR
GlyT1
ADME-Tox
CNS
DAT
Molecular docking
Online Access:http://www.sciencedirect.com/science/article/pii/S2405844023009131

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http://www.sciencedirect.com/science/article/pii/S2405844023009131

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