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Design of novel amyloid β aggregation inhibitors using QSAR, pharmacophore modeling, molecular docking and ADME prediction

The inhibition of abnormal amyloid β (Aβ) aggregation has been regarded as a good target to control Alzheimer’s disease. The present study adopted 2D-QSAR, HQSAR and 3D QSAR (CoMFA & CoMSIA) modeling approaches to identify the structural and physicochemical requirements for the potential Aβ aggr...

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Bibliografiske detaljer
Udgivet i:In Silico Pharmacol
Main Authors: Aswathy, Lilly, Jisha, Radhakrishnan S., Masand, Vijay H., Gajbhiye, Jayant M., Shibi, Indira G.
Format: Artigo
Sprog:Inglês
Udgivet: Springer Berlin Heidelberg 2018
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6314802/
https://ncbi.nlm.nih.gov/pubmed/30607325
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s40203-018-0049-1
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