Pharmacophore Modeling, Ensemble Docking, Virtual Screening, and Biological Evaluation on Glycogen Synthase Kinase-3β

Gang Fu; Prasanna Sivaprakasam; Olivia R. Dale; Susan P. Manly; Stephen J. Cutler; Robert J. Doerksen

doi:10.1002/minf.201400044

Pharmacophore Modeling, Ensemble Docking, Virtual Screening, and Biological Evaluation on Glycogen Synthase Kinase-3β

Molecular Informatics ◽

10.1002/minf.201400044 ◽

2014 ◽

Vol 33 (9) ◽

pp. 610-626 ◽

Cited By ~ 8

Author(s):

Gang Fu ◽

Prasanna Sivaprakasam ◽

Olivia R. Dale ◽

Susan P. Manly ◽

Stephen J. Cutler ◽

...

Keyword(s):

Virtual Screening ◽

Glycogen Synthase ◽

Pharmacophore Modeling ◽

Biological Evaluation ◽

Glycogen Synthase Kinase ◽

Glycogen Synthase Kinase 3Β ◽

Ensemble Docking

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Discovery of novel glycogen synthase kinase-3α inhibitors: Structure-based virtual screening, preliminary SAR and biological evaluation for treatment of acute myeloid leukemia

European Journal of Medicinal Chemistry ◽

10.1016/j.ejmech.2019.03.039 ◽

2019 ◽

Vol 171 ◽

pp. 221-234 ◽

Cited By ~ 10

Author(s):

Yanxing Wang ◽

Xiaodong Dou ◽

Lan Jiang ◽

Hongwei Jin ◽

Lihe Zhang ◽

...

Keyword(s):

Acute Myeloid Leukemia ◽

Virtual Screening ◽

Myeloid Leukemia ◽

Glycogen Synthase ◽

Biological Evaluation ◽

Glycogen Synthase Kinase ◽

Acute Myeloid

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Discovery of Selective, Substrate-Competitive, and Passive Membrane Permeable Glycogen Synthase Kinase-3β Inhibitors: Synthesis, Biological Evaluation, and Molecular Modeling of New C-Glycosylflavones

ACS Chemical Neuroscience ◽

10.1021/acschemneuro.8b00010 ◽

2018 ◽

Vol 9 (5) ◽

pp. 1166-1183 ◽

Cited By ~ 15

Author(s):

Zhibin Liang ◽

Qing X. Li

Keyword(s):

Molecular Modeling ◽

Glycogen Synthase ◽

Biological Evaluation ◽

Glycogen Synthase Kinase ◽

Glycogen Synthase Kinase 3Β ◽

Passive Membrane

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Structure-Based Virtual Screening of Glycogen Synthase Kinase 3β Inhibitors: Analysis of Scoring Functions Applied to Large True Actives and Decoy Sets

Chemical Biology & Drug Design ◽

10.1111/j.1747-0285.2011.01159.x ◽

2011 ◽

Vol 78 (3) ◽

pp. 378-390 ◽

Cited By ~ 17

Author(s):

Dmitry I. Osolodkin ◽

Vladimir A. Palyulin ◽

Nikolay S. Zefirov

Keyword(s):

Virtual Screening ◽

Glycogen Synthase ◽

Glycogen Synthase Kinase ◽

Scoring Functions ◽

Glycogen Synthase Kinase 3Β

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Synthesis and Biological Evaluation of 3-Benzisoxazolyl-4-indolylmaleimides as Potent, Selective Inhibitors of Glycogen Synthase Kinase-3β

Molecules ◽

10.3390/molecules18055498 ◽

2013 ◽

Vol 18 (5) ◽

pp. 5498-5516 ◽

Cited By ~ 10

Author(s):

Qing Ye ◽

Meng Li ◽

Yubo Zhou ◽

Tao Pang ◽

Lei Xu ◽

...

Keyword(s):

Glycogen Synthase ◽

Biological Evaluation ◽

Glycogen Synthase Kinase ◽

Glycogen Synthase Kinase 3Β ◽

Selective Inhibitors ◽

Synthesis And Biological Evaluation

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ChemInform Abstract: Design, Synthesis and Biological Evaluation of Benzothiazepinones (BTZs) as Novel Non-ATP Competitive Inhibitors of Glycogen Synthase Kinase-3β (GSK-3β).

ChemInform ◽

10.1002/chin.201327178 ◽

2013 ◽

Vol 44 (27) ◽

pp. no-no

Author(s):

Peng Zhang ◽

Hai-Rong Hu ◽

Shi-Hui Bian ◽

Zhao-Hui Huang ◽

Yong Chu ◽

...

Keyword(s):

Glycogen Synthase ◽

Biological Evaluation ◽

Glycogen Synthase Kinase ◽

Glycogen Synthase Kinase 3Β ◽

Design Synthesis ◽

Competitive Inhibitors ◽

Gsk 3Β ◽

Synthesis And Biological Evaluation

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Synthesis and biological evaluation of 3-substituted 2-oxindole derivatives as new glycogen synthase kinase 3β inhibitors

Bioorganic & Medicinal Chemistry ◽

10.1016/j.bmc.2019.03.028 ◽

2019 ◽

Vol 27 (9) ◽

pp. 1804-1817 ◽

Cited By ~ 6

Author(s):

Natalia A. Lozinskaya ◽

Denis A. Babkov ◽

Ekaterina V. Zaryanova ◽

Elena N. Bezsonova ◽

Alexander M. Efremov ◽

...

Keyword(s):

Glycogen Synthase ◽

Biological Evaluation ◽

Glycogen Synthase Kinase ◽

Glycogen Synthase Kinase 3Β ◽

Synthesis And Biological Evaluation

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Design, Synthesis, and Biological Evaluation of 1-Phenylpyrazolo[3,4-e]pyrrolo[3,4-g]indolizine-4,6(1H,5H)-diones as New Glycogen Synthase Kinase-3β Inhibitors

Journal of Medicinal Chemistry ◽

10.1021/jm401466v ◽

2013 ◽

Vol 56 (24) ◽

pp. 10066-10078 ◽

Cited By ~ 27

Author(s):

Valeria La Pietra ◽

Giuseppe La Regina ◽

Antonio Coluccia ◽

Valeria Famiglini ◽

Sveva Pelliccia ◽

...

Keyword(s):

Glycogen Synthase ◽

Biological Evaluation ◽

Glycogen Synthase Kinase ◽

Glycogen Synthase Kinase 3Β ◽

Design Synthesis ◽

Synthesis And Biological Evaluation

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Identification of novel scaffold of benzothiazepinones as non-ATP competitive glycogen synthase kinase-3β inhibitors through virtual screening

Bioorganic & Medicinal Chemistry Letters ◽

10.1016/j.bmcl.2012.09.043 ◽

2012 ◽

Vol 22 (23) ◽

pp. 7232-7236 ◽

Cited By ~ 11

Author(s):

Peng Zhang ◽

Hai-Rong Hu ◽

Zhao-Hui Huang ◽

Jia-Yi Lei ◽

Yong Chu ◽

...

Keyword(s):

Virtual Screening ◽

Glycogen Synthase ◽

Glycogen Synthase Kinase ◽

Glycogen Synthase Kinase 3Β ◽

Novel Scaffold

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The marine natural-derived inhibitors of glycogen synthase kinase-3β phenylmethylene hydantoins: In vitro and in vivo activities and pharmacophore modeling

Bioorganic & Medicinal Chemistry ◽

10.1016/j.bmc.2009.06.054 ◽

2009 ◽

Vol 17 (16) ◽

pp. 6032-6039 ◽

Cited By ~ 35

Author(s):

Mohammad A. Khanfar ◽

Bilal Abu Asal ◽

Mudit Mudit ◽

Amal Kaddoumi ◽

Khalid A. El Sayed

Keyword(s):

Glycogen Synthase ◽

Pharmacophore Modeling ◽

Glycogen Synthase Kinase ◽

Glycogen Synthase Kinase 3Β

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Design, synthesis, and biological evaluation of novel 7-azaindolyl-heteroaryl-maleimides as potent and selective glycogen synthase kinase-3β (GSK-3β) inhibitors

Bioorganic & Medicinal Chemistry ◽

10.1016/j.bmc.2004.04.010 ◽

2004 ◽

Vol 12 (12) ◽

pp. 3167-3185 ◽

Cited By ~ 18

Author(s):

David J. O'Neill ◽

Lan Shen ◽

Catherine Prouty ◽

Bruce R. Conway ◽

Lori Westover ◽

...

Keyword(s):

Glycogen Synthase ◽

Biological Evaluation ◽

Glycogen Synthase Kinase ◽

Glycogen Synthase Kinase 3Β ◽

Design Synthesis ◽

Gsk 3Β ◽

Synthesis And Biological Evaluation

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