In Silico Design of Novel Tetra-Substituted Pyridinylimidazoles Derivatives as c-Jun N-Terminal Kinase-3 Inhibitors, Using 2D/3D-QSAR Studies, Molecular Docking and ADMET Prediction
Author:
Publisher
Springer Science and Business Media LLC
Subject
Drug Discovery,Molecular Medicine,Biochemistry,Bioengineering,Analytical Chemistry
Link
http://link.springer.com/content/pdf/10.1007/s10989-019-09939-8.pdf
Reference41 articles.
1. Akabli T, Lamchouri F, Senhaji S, Toufik H (2019) Molecular docking, ADME/Tox prediction, and in vitro study of the cell growth inhibitory activity of five β-carboline alkaloids. Struct Chem. https://doi.org/10.1007/s11224-019-01308-x
2. Allinger NL (1977) Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1and V2Torsional terms1,2. J Am Chem Soc 99:8127–8134. https://doi.org/10.1021/ja00467a001
3. Antoniou X, Falconi M, Di Marino D, Borsello T (2011) JNK3 as a therapeutic target for neurodegenerative diseases. J Alzheimer’s Dis 24:633–642. https://doi.org/10.3233/JAD-2011-091567
4. Caballero J, Saavedra M, Fernández M, González-Nilo FD (2007) Quantitative structure-activity relationship of rubiscolin analogues as δ opioid peptides using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA). J Agric Food Chem 55:8101–8104. https://doi.org/10.1021/jf071031h
5. Clark M, Cramer RD, Van Opdenbosch N (1989) Validation of the general purpose tripos 5.2 force field. J Comput Chem 10:982–1012. https://doi.org/10.1002/jcc.540100804
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