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The role of the oximes HI-6 and HS-6 inside human acetylcholinesterase inhibited with nerve agents: a computational study.
Cuya T, Gonçalves ADS, da Silva JAV, Ramalho TC, Kuca K, C C França T. Cuya T, et al. J Biomol Struct Dyn. 2018 Oct;36(13):3444-3452. doi: 10.1080/07391102.2017.1389307. Epub 2017 Oct 27. J Biomol Struct Dyn. 2018. PMID: 29019446
The oximes 4-carbamoyl-1-[({2-[(E)-(hydroxyimino) methyl] pyridinium-1-yl} methoxy) methyl] pyridinium (known as HI-6) and 3-carbamoyl-1-[({2-[(E)-(hydroxyimino) methyl] pyridinium-1-yl} methoxy) methyl] pyridinium (known as HS-6) are isomers differing …
The oximes 4-carbamoyl-1-[({2-[(E)-(hydroxyimino) methyl] pyridinium-1-yl} methoxy) methyl] pyridinium (known as HI-6) and 3-c …
A molecular dynamics study of components of the ginger (Zingiber officinale) extract inside human acetylcholinesterase: implications for Alzheimer disease.
Cuya T, Baptista L, Celmar Costa França T. Cuya T, et al. J Biomol Struct Dyn. 2018 Nov;36(14):3843-3855. doi: 10.1080/07391102.2017.1401004. Epub 2017 Nov 23. J Biomol Struct Dyn. 2018. PMID: 29096599
For this reason, we performed here docking, molecular dynamic simulations and mmpbsa calculations on four components of ginger extracts former reported as active inhibitors of human acetylcholinesterase (HssAChE), and compared our results to the known HssAChE inhibitor and commer …
For this reason, we performed here docking, molecular dynamic simulations and mmpbsa calculations on four components of ginger extracts form …