In Silico Studies in Probing the Role of Kinetic and Structural Effects of Different Drugs for the Reactivation of Tabun-Inhibited AChE

We have examined the reactivation mechanism of the tabun-conjugated AChE with various drugs using density functional theory (DFT) and post-Hartree-Fock methods. The electronic environments and structural features of neutral oximes (deazapralidoxime and 3-hydroxy-2-pyridinealdoxime) and charged monop...

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Detalles Bibliográficos
Autores principales: Lo, Rabindranath, Chandar, Nellore Bhanu, Kesharwani, Manoj K., Jain, Aastha, Ganguly, Bishwajit
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2013
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3846473/
https://www.ncbi.nlm.nih.gov/pubmed/24312449
http://dx.doi.org/10.1371/journal.pone.0079591

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3846473/
https://www.ncbi.nlm.nih.gov/pubmed/24312449
http://dx.doi.org/10.1371/journal.pone.0079591

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