Cargando…

Design Two Novel Tetrahydroquinoline Derivatives against Anticancer Target LSD1 with 3D-QSAR Model and Molecular Simulation

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 relations...

Descripción completa

Detalles Bibliográficos
Autores principales:	Xu, Yongtao, Fan, Baoyi, Gao, Yunlong, Chen, Yifan, Han, Di, Lu, Jiarui, Liu, Taigang, Gao, Qinghe, Zhang, John Zenghui, Wang, Meiting
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9739212/ https://www.ncbi.nlm.nih.gov/pubmed/36500451 http://dx.doi.org/10.3390/molecules27238358

Ejemplares similares

Investigating the Binding Mode of Reversible LSD1 Inhibitors Derived from Stilbene Derivatives by 3D-QSAR, Molecular Docking, and Molecular Dynamics Simulation
por: Xu, Yongtao, et al.
Publicado: (2019)

3D-QSAR, molecular docking, and molecular dynamics simulation study of thieno[3,2-b]pyrrole-5-carboxamide derivatives as LSD1 inhibitors
por: Xu, Yongtao, et al.
Publicado: (2020)

Design, synthesis, and biological evaluation of tetrahydroquinolinones and tetrahydroquinolines with anticancer activity
por: Ryczkowska, Małgorzata, et al.
Publicado: (2022)

Facile synthesis and in vitro anticancer evaluation of a new series of tetrahydroquinoline
por: Fathy, Usama, et al.
Publicado: (2021)

Fused Tetrahydroquinolines Are Interfering with Your Assay
por: Bashore, Frances M., et al.
Publicado: (2023)

QSAR workbench: automating QSAR modeling to drive compound design
por: Cox, Richard, et al.
Publicado: (2013)

Receptor-binding affinity and larvicidal activity of tetrahydroquinoline-type ecdysone agonists against Aedes albopictus
por: Ueno, Minori, et al.
Publicado: (2021)

Synthesis and kinetic resolution of substituted tetrahydroquinolines by lithiation then electrophilic quench
por: Carter, Nicholas, et al.
Publicado: (2017)

Structure–Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors
por: Sonawane, Yogesh A., et al.
Publicado: (2017)

Experimental and Theoretical Approaches in the Study of Phenanthroline‐Tetrahydroquinolines for Alzheimer's Disease
por: Duarte, Yorley, et al.
Publicado: (2019)

Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines
por: Wang, Yue, et al.
Publicado: (2022)

QSAR, Docking, and Molecular Dynamics Simulation Studies of Sigmacidins as Antimicrobials against Streptococci
por: Ye, Jiqing, et al.
Publicado: (2022)

Facile synthesis of functionalized tetrahydroquinolines via domino Povarov reactions of arylamines, methyl propiolate and aromatic aldehydes
por: Sun, Jing, et al.
Publicado: (2012)

Distinguishing compounds with anticancer activity by ANN using inductive QSAR descriptors
por: Jaiswal, Kunal, et al.
Publicado: (2008)

Anticancer activity and QSAR study of sulfur-containing thiourea and sulfonamide derivatives
por: Pingaew, Ratchanok, et al.
Publicado: (2022)

5,6,7,8-Tetrahydroquinolin-8-one
por: Lipińska, Teodozja M., et al.
Publicado: (2011)

LSD1 protects against hippocampal and cortical neurodegeneration
por: Christopher, Michael A., et al.
Publicado: (2017)

Synthesis, Evaluation of Anticancer Activity and QSAR Study of Heterocyclic Esters of Caffeic Acid
por: Hajmohamad Ebrahim Ketabforoosh, Shima, et al.
Publicado: (2013)

A QSAR, Pharmacokinetic and Toxicological Study of New Artemisinin Compounds with Anticancer Activity
por: Vieira, Josinete B., et al.
Publicado: (2014)

Small Heterocyclic Ligands as Anticancer Agents: QSAR with a Model G-Quadruplex
por: Kaneti, Jose, et al.
Publicado: (2022)

5,6,7,8-Tetrahydroquinoline 1-oxide hemihydrate
por: Karczmarzyk, Zbigniew, et al.
Publicado: (2010)

Modular o-Quinone Catalyst System for Dehydrogenation of Tetrahydroquinolines under Ambient Conditions
por: Wendlandt, Alison E., et al.
Publicado: (2014)

5-Oxo-hexahydroquinoline Derivatives and Their Tetrahydroquinoline Counterparts as Multidrug Resistance Reversal Agents
por: Shahraki, Omolbanin, et al.
Publicado: (2020)

A Convenient Formal [4+2] Heterocylization Route to Bis(triflyl)tetrahydroquinolines
por: Lázaro‐Milla, Carlos, et al.
Publicado: (2021)

Synthesis of Novel Spiro-Tetrahydroquinoline Derivatives and Evaluation of Their Pharmacological Effects on Wound Healing
por: Liou, Yan-Cheng, et al.
Publicado: (2021)

The Role of LSD1 and LSD2 in Cancers of the Gastrointestinal System: An Update
por: Malagraba, Gianluca, et al.
Publicado: (2022)

In silico studies of a novel scaffold of benzoxazole derivatives as anticancer agents by 3D-QSAR, molecular docking and molecular dynamics simulations
por: Jiang, Yuhan, et al.
Publicado: (2023)

4D-QSAR: Perspectives in Drug Design
por: Andrade, Carolina H., et al.
Publicado: (2010)

Highly Diastereoselective Synthesis of Tetrahydroquinoline Derivatives via [4 + 2] Annulation of Ortho-Tosylaminophenyl-Substituted Para-Quinone Methides and Cyanoalkenes
por: Dong, Taiwei, et al.
Publicado: (2021)

3D-QSAR studies on Maslinic acid analogs for Anticancer activity against Breast Cancer cell line MCF-7
por: Alam, Sarfaraz, et al.
Publicado: (2017)

3D-QSAR, Molecular Docking, and MD Simulations of Anthraquinone Derivatives as PGAM1 Inhibitors
por: Wang, Yuwei, et al.
Publicado: (2021)

Combined 3D-QSAR, molecular docking and dynamics simulations studies to model and design TTK inhibitors
por: Ashraf, Noureen, et al.
Publicado: (2022)

Modifications on the Tetrahydroquinoline Scaffold Targeting a Phenylalanine Cluster on GPER as Antiproliferative Compounds against Renal, Liver and Pancreatic Cancer Cells
por: Méndez-Luna, David, et al.
Publicado: (2021)

Bis(1,2,3,4-tetrahydroquinolin-6-yl)methane
por: Shen, Li, et al.
Publicado: (2008)

A combined continuous microflow photochemistry and asymmetric organocatalysis approach for the enantioselective synthesis of tetrahydroquinolines
por: Sugiono, Erli, et al.
Publicado: (2013)

Crystal structure of 1-tosyl-1,2,3,4-tetrahydroquinoline
por: Jeyaseelan, S., et al.
Publicado: (2014)

Preparation of Half- and Post-Metallocene Hafnium Complexes with Tetrahydroquinoline and Tetrahydrophenanthroline Frameworks for Olefin Polymerization
por: Baek, Jun Won, et al.
Publicado: (2019)

Synthesis and fungicidal activity of pyrazole derivatives containing 1,2,3,4-tetrahydroquinoline
por: Lei, Peng, et al.
Publicado: (2016)

Aerobic Oxidative EDA Catalysis: Synthesis of Tetrahydroquinolines Using an Organocatalytic EDA Active Acceptor
por: Runemark, August, et al.
Publicado: (2022)

QSAR and docking studies on xanthone derivatives for anticancer activity targeting DNA topoisomerase IIα
por: Alam, Sarfaraz, et al.
Publicado: (2014)

Cannot write session to /tmp/vufind_sessions/sess_cc3a1da7rc0rh762o4gvksdnv4