New Tacrine Analogs as Acetylcholinesterase Inhibitors — Theoretical Study with Chemometric Analysis

Computer simulations constitute the basis of the design and discovery of new drugs. This approach is not only significant with regards to finding new structures, but also for selecting the molecules with the highest probability of being useful in the diagnostic process and treatment of numerous dise...

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Detalhes bibliográficos
Main Authors: Elżbieta Mikiciuk-Olasik, Barbara Malawska, Jakub Jończyk, Marek Bajda, Robert Skibiński, Tadeusz Inglot, Paweł Szymański
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI AG 2013-03-01
Colecção:Molecules
Assuntos:
acetylcholinesterase inhibitors
chemometric analysis
docking
prediction of BBB penetration
Ames test simulation
Acesso em linha:http://www.mdpi.com/1420-3049/18/3/2878
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