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Journal of Enzyme Inhibition and Medicinal Chemistry Volume 34, 2019 - Issue 1
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Research Paper

Computer-aided molecular design of pyrazolotriazines targeting glycogen synthase kinase 3

M. Lourdes SciúDepartment of Chemical and Physical Biology, Centro de Investigaciones Biológicas (CIB, CSIC) Ramiro de Maeztu, Madrid, Spain; ;INFIQC- Department of Organic Chemistry, School of Chemical Sciences, National University of Córdoba, Córdoba, Argentine; View further author information
,
Victor Sebastián-PérezDepartment of Chemical and Physical Biology, Centro de Investigaciones Biológicas (CIB, CSIC) Ramiro de Maeztu, Madrid, Spain; ORCID Iconhttp://orcid.org/0000-0002-8248-4496View further author information
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Loreto Martinez-GonzalezDepartment of Chemical and Physical Biology, Centro de Investigaciones Biológicas (CIB, CSIC) Ramiro de Maeztu, Madrid, Spain; View further author information
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Rocio BenitezDepartment of Chemical and Physical Biology, Centro de Investigaciones Biológicas (CIB, CSIC) Ramiro de Maeztu, Madrid, Spain; View further author information
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Daniel I. PerezDepartment of Chemical and Physical Biology, Centro de Investigaciones Biológicas (CIB, CSIC) Ramiro de Maeztu, Madrid, Spain; ORCID Iconhttp://orcid.org/0000-0003-1774-4471View further author information
ORCID Icon,
Concepción PérezInstituto de Química Médica (IQM, CSIC), Madrid, SpainORCID Iconhttp://orcid.org/0000-0001-7183-4035View further author information
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Nuria E. CampilloDepartment of Chemical and Physical Biology, Centro de Investigaciones Biológicas (CIB, CSIC) Ramiro de Maeztu, Madrid, Spain; ORCID Iconhttp://orcid.org/0000-0002-9948-2665View further author information
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Ana MartinezDepartment of Chemical and Physical Biology, Centro de Investigaciones Biológicas (CIB, CSIC) Ramiro de Maeztu, Madrid, Spain; Correspondence[email protected]
ORCID Iconhttp://orcid.org/0000-0002-2707-8110View further author information
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E. Laura MoyanoINFIQC- Department of Organic Chemistry, School of Chemical Sciences, National University of Córdoba, Córdoba, Argentine; Correspondence[email protected]
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Pages 87-96 | Received 03 May 2018, Accepted 17 Sep 2018, Published online: 26 Oct 2018

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Linkai Mou, Wenwen Dou, Gang Meng, Ke Sun & Xiangyu Chen. (2020) The structural basis of the autoinhibition mechanism of glycogen synthase kinase 3β (GSK3β): molecular modeling and molecular dynamics simulation studies. Journal of Biomolecular Structure and Dynamics 38:6, pages 1741-1750.
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Articles from other publishers (8)

Suggala Ramya Shri, Suman Manandhar, Yogendra Nayak & K Sreedhara Ranganath Pai. (2023) Role of GSK-3β Inhibitors: New Promises and Opportunities for Alzheimer’s Disease. Advanced Pharmaceutical Bulletin 13:4, pages 688-700.
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Wei Zhu, Fengming Wu, Jindie Hu, Wenjing Wang, Jifeng Zhang & Guoqing Guo. (2022) Structural Investigation of the Interaction Mechanism between Chlorogenic Acid and AMPA Receptor via In Silico Approaches. Molecules 27:11, pages 3394.
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Mateusz Kciuk, Somdutt Mujwar, Anna Szymanowska, Beata Marciniak, Karol Bukowski, Mariusz Mojzych & Renata Kontek. (2022) Preparation of Novel Pyrazolo[4,3-e]tetrazolo[1,5-b][1,2,4]triazine Sulfonamides and Their Experimental and Computational Biological Studies. International Journal of Molecular Sciences 23:11, pages 5892.
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Samir Bondock, Salwa Alqahtani & Ahmed M. Fouda. (2020) Synthesis and anticancer evaluation of some new pyrazolo[3,4‐ d ][1,2,3]triazin‐4‐ones, pyrazolo[1,5‐ a ]pyrimidines, and imidazo[1,2‐ b ]pyrazoles clubbed with carbazole . Journal of Heterocyclic Chemistry 58:1, pages 56-73.
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Willian Orlando Castillo, Nilza Velasco Palomino, Catarina Satie Takahashi & Silvana Giuliatti. (2020) Genistein and Galantamine Combinations Decrease β-Amyloid Peptide (1–42)–Induced Genotoxicity and Cell Death in SH-SY5Y Cell Line: an In Vitro and In Silico Approach for Mimic of Alzheimer’s Disease. Neurotoxicity Research 38:3, pages 691-706.
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Linkai Mou, Zilong Ma, Xiaomin Meng, Wenxing Li, Shuai Liang & Xiangyu Chen. (2020) Exploration of the selective binding mechanism of GSK3β via molecular modeling and molecular dynamics simulation studies. Medicinal Chemistry Research 29:4, pages 690-698.
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Jiayang Xie, Ruirui Liang, Yajiang Wang, Junyi Huang, Xin Cao & Bing Niu. (2020) Progress in Target Drug Molecules for Alzheimer's Disease. Current Topics in Medicinal Chemistry 20:1, pages 4-36.
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Samuel Morales-Navarro, Luis Prent-Peñaloza, Yeray A. Rodríguez Núñez, Laura Sánchez-Aros, Oscar Forero-Doria, Wendy González, Nuria E. Campilllo, Miguel Reyes-Parada, Ana Martínez & David Ramírez. (2019) Theoretical and Experimental Approaches Aimed at Drug Design Targeting Neurodegenerative Diseases. Processes 7:12, pages 940.
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