Cargando…

Pharmacophore modeling and virtual screening studies for discovery of novel farnesoid X receptor (FXR) agonists

Farnesoid X receptor (FXR) agonists would be considered as an important therapeutic strategy for several chronic liver and metabolic diseases. Here we have employed an integrated virtual screening by combining ligand-based pharmacophore mapping and molecular docking to identify novel nonsteroidal FX...

Descripción completa

Detalles Bibliográficos
Autores principales:	Zhao, Shizhen, Peng, Wenjing, Li, Xinping, Wang, Le, Yin, Wenbo, Wang, Yan-Dong, Hou, Ruifang, Chen, Wei-Dong
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2021
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8693749/ https://www.ncbi.nlm.nih.gov/pubmed/35424145 http://dx.doi.org/10.1039/d0ra09320c

Ejemplares similares

Ligand-based pharmacophore modeling, virtual screening and biological evaluation to identify novel TGR5 agonists
por: Zhao, Shizhen, et al.
Publicado: (2021)

Farnesoid X receptor (FXR): Structures and ligands
por: Jiang, Longying, et al.
Publicado: (2021)

Pharmacophore-based discovery of FXR agonists. Part I: Model development and experimental validation
por: Schuster, Daniela, et al.
Publicado: (2011)

Farnesoid X Receptor (FXR) Activation and FXR Genetic Variation in Inflammatory Bowel Disease
por: Nijmeijer, Rian M., et al.
Publicado: (2011)

Discovery of New Liver X Receptor Agonists by Pharmacophore Modeling and Shape-Based Virtual Screening
por: Temml, Veronika, et al.
Publicado: (2014)

Expanding the Library of 1,2,4-Oxadiazole Derivatives: Discovery of New Farnesoid X Receptor (FXR) Antagonists/Pregnane X Receptor (PXR) Agonists
por: Finamore, Claudia, et al.
Publicado: (2023)

Pharmacophore-based discovery of FXR-agonists. Part II: Identification of bioactive triterpenes from Ganoderma lucidum
por: Grienke, Ulrike, et al.
Publicado: (2011)

Bile Diversion Improves Metabolic Phenotype Dependent on Farnesoid X Receptor (FXR)
por: Pierre, Joseph F., et al.
Publicado: (2019)

Targeting Farnesoid X receptor (FXR) for developing novel therapeutics against cancer
por: Girisa, Sosmitha, et al.
Publicado: (2021)

The Pathophysiology of Farnesoid X Receptor (FXR) in the GI Tract: Inflammation, Barrier Function and Innate Immunity
por: Anderson, Kemp M., et al.
Publicado: (2021)

Loss of Farnesoid X receptor (FXR) accelerates dysregulated glucose and renal injury in db/db mice
por: Qiu, Yuxiang, et al.
Publicado: (2023)

Discovery of Natural Products as Novel and Potent FXR Antagonists by Virtual Screening
por: Diao, Yanyan, et al.
Publicado: (2018)

Helicobacter hepaticus Infection Promotes Hepatitis and Preneoplastic Foci in Farnesoid X Receptor (FXR) Deficient Mice
por: Swennes, Alton G., et al.
Publicado: (2014)

Evaluation of the Potential for Cytochrome P450 and Transporter-Mediated Drug-Drug Interactions for Cilofexor, a Selective Nonsteroidal Farnesoid X Receptor (FXR) Agonist
por: Younis, Islam, et al.
Publicado: (2023)

Farnesoid X Receptor Agonists as Therapeutic Target for Cardiometabolic Diseases
por: Li, Chao, et al.
Publicado: (2020)

Discovery of YopE Inhibitors by Pharmacophore-Based Virtual Screening and Docking
por: Ozbuyukkaya, Gizem, et al.
Publicado: (2013)

Corrigendum to: “Farnesoid X receptor (FXR): Structures and ligands” [Comput. Struct. Biotechnol. J. 19 (2021) 2148–2159]
por: Jiang, Longying, et al.
Publicado: (2022)

Discovery of novel RARα agonists using pharmacophore-based virtual screening, molecular docking, and molecular dynamics simulation studies
por: Ghorayshian, Atefeh, et al.
Publicado: (2023)

Pharmacophore‐guided Virtual Screening to Identify New β(3)‐adrenergic Receptor Agonists
por: Ujiantari, Navista Sri Octa, et al.
Publicado: (2022)

Pharmacophore-Based Virtual Screening Toward the Discovery of Novel Anti-echinococcal Compounds
por: Liu, Congshan, et al.
Publicado: (2020)

Primary Biliary Cholangitis and Bile Acid Farnesoid X Receptor Agonists
por: Abenavoli, Ludovico, et al.
Publicado: (2020)

Application of ensemble pharmacophore-based virtual screening to the discovery of novel antimitotic tubulin inhibitors
por: Gallego-Yerga, Laura, et al.
Publicado: (2021)

Pharmacophore Modeling and Virtual Screening for the Discovery of New type 4 cAMP Phosphodiesterase (PDE4) Inhibitors
por: Niu, Miaomiao, et al.
Publicado: (2013)

Pharmacophore and Virtual Screening of JAK3 inhibitors
por: Rajeswari, Murugesan, et al.
Publicado: (2014)

Drug Design by Pharmacophore and Virtual Screening Approach
por: Giordano, Deborah, et al.
Publicado: (2022)

Combination of Docking-Based and Pharmacophore-Based Virtual Screening Identifies Novel Agonists That Target the Urotensin Receptor
por: Li, Na, et al.
Publicado: (2022)

(E)-7-Ethylidene-lithocholic Acid (7-ELCA) Is a Potent Dual Farnesoid X Receptor (FXR) Antagonist and GPBAR1 Agonist Inhibiting FXR-Induced Gene Expression in Hepatocytes and Stimulating Glucagon-like Peptide-1 Secretion From Enteroendocrine Cells
por: Stefela, Alzbeta, et al.
Publicado: (2021)

Pharmacophore Modeling, Virtual Screening, and Molecular Docking Studies for Discovery of Novel Akt2 Inhibitors
por: Fei, Jia, et al.
Publicado: (2013)

Discovery of Novel TASK-3 Channel Blockers Using a Pharmacophore-Based Virtual Screening
por: Ramírez, David, et al.
Publicado: (2019)

Discovery of Monoacylglycerol Lipase (MAGL) Inhibitors Based on a Pharmacophore-Guided Virtual Screening Study
por: Jha, Vibhu, et al.
Publicado: (2020)

Pharmacophore Models and Pharmacophore-Based Virtual Screening: Concepts and Applications Exemplified on Hydroxysteroid Dehydrogenases
por: Kaserer, Teresa, et al.
Publicado: (2015)

Discovery of Potential M2 Channel Inhibitors Based on the Amantadine Scaffold via Virtual Screening and Pharmacophore Modeling
por: Tran, Linh, et al.
Publicado: (2011)

Binding free energy predictions of farnesoid X receptor (FXR) agonists using a linear interaction energy (LIE) approach with reliability estimation: application to the D3R Grand Challenge 2
por: Rifai, Eko Aditya, et al.
Publicado: (2017)

INT-767—A Dual Farnesoid-X Receptor (FXR) and Takeda G Protein-Coupled Receptor-5 (TGR5) Agonist Improves Survival in Rats and Attenuates Intestinal Ischemia Reperfusion Injury
por: Canovai, Emilio, et al.
Publicado: (2023)

Farnesoid X receptor agonist for the treatment of chronic hepatitis B: A safety study
por: Erken, Robin, et al.
Publicado: (2021)

Discovery, optimization, and evaluation of non-bile acid FXR/TGR5 dual agonists
por: Miyata, Sachiho, et al.
Publicado: (2021)

Combining docking with pharmacophore filtering for improved virtual screening
por: Peach, Megan L, et al.
Publicado: (2009)

Probabilistic Approach for Virtual Screening Based on Multiple Pharmacophores
por: Madzhidov, Timur I., et al.
Publicado: (2020)

The Discovery of Novel BCR-ABL Tyrosine Kinase Inhibitors Using a Pharmacophore Modeling and Virtual Screening Approach
por: Huang, Ting-Ting, et al.
Publicado: (2021)

The discovery of potential acetylcholinesterase inhibitors: A combination of pharmacophore modeling, virtual screening, and molecular docking studies
por: Lu, Shin-Hua, et al.
Publicado: (2011)

Cannot write session to /tmp/vufind_sessions/sess_p0hlmr24km9821d6vkkn7l09i3