Design Two Novel Tetrahydroquinoline Derivatives against Anticancer Target LSD1 with 3D-QSAR Model a...
Design Two Novel Tetrahydroquinoline Derivatives against Anticancer Target LSD1 with 3D-QSAR Model and Molecular Simulation
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Author / Creator
Beräkningskemi , Naturvetenskapliga fakulteten , Physical and theoretical chemistry , Department of Chemistry , Lund University , Computational Chemistry , Enheten för fysikalisk och teoretisk kemi , Kemiska institutionen , Faculty of Science , Lunds universitet , Xu, Yongtao , Fan, Baoyi , Gao, Yunlong , Chen, Yifan , Han, Di , Lu, Jiarui , Liu, Taigang , Gao, Qinghe , Zhang, John Zenghui and Wang, Meiting
Publisher
Switzerland: MDPI AG
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Language
English
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Publisher
Switzerland: MDPI AG
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Contents
Lysine-specific demethylase 1 (LSD1) is a histone-modifying enzyme, which is a significant target for anticancer drug research. In this work, 40 reported tetrahydroquinoline-derivative inhibitors targeting LSD1 were studied to establish the three-dimensional quantitative structure–activity relationship (3D-QSAR). The established models CoMFA (Compa...
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Full title
Design Two Novel Tetrahydroquinoline Derivatives against Anticancer Target LSD1 with 3D-QSAR Model and Molecular Simulation
Authors, Artists and Contributors
Author / Creator
Naturvetenskapliga fakulteten
Physical and theoretical chemistry
Department of Chemistry
Lund University
Computational Chemistry
Enheten för fysikalisk och teoretisk kemi
Kemiska institutionen
Faculty of Science
Lunds universitet
Xu, Yongtao
Fan, Baoyi
Gao, Yunlong
Chen, Yifan
Han, Di
Lu, Jiarui
Liu, Taigang
Gao, Qinghe
Zhang, John Zenghui
Wang, Meiting
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TN_cdi_doaj_primary_oai_doaj_org_article_462aa3d66dd04994a5bbe6a7b8c0a0d8
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_462aa3d66dd04994a5bbe6a7b8c0a0d8
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ISSN
1420-3049
E-ISSN
1420-3049
DOI
10.3390/molecules27238358
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