Selective norepinephrine reuptake inhibitors(sNRIs)represent a highly-effective class of antidepressant *** inhibitory mechanism of approved sNRIs could facilitate the design and discovery of privileged scaffolds with...
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Selective norepinephrine reuptake inhibitors(sNRIs)represent a highly-effective class of antidepressant *** inhibitory mechanism of approved sNRIs could facilitate the design and discovery of privileged scaffolds with improved ***,the structure of human norepinephrine transporter(hNET)has not yet been determined and the inhibitory mechanism underlying sNRIs still remain *** our study,multiple computational methods were integrated to explore the inhibitory mechanism of approved sNRIs(atomoxetine,maprotiline,reboxetine and viloxazine),and the calculation results obtained were in good correlation with the experimental data,indicating that the model in the study was ***,a binding mode defined by collective interactions between 3 chemical groups in sNRIs and 11 hot spot residues in hNET was identified as a common feature shared by all approved *** identified binding mode could provide important insights into the inhibitory mechanism of approved sNRIs,which could be utilized as a framework to design novel lead scaffolds with improved drug efficacy.
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