Cargando…

QSAR-Based Computational Approaches to Accelerate the Discovery of Sigma-2 Receptor (S2R) Ligands as Therapeutic Drugs

S2R overexpression is associated with various forms of cancer as well as both neuropsychiatric disorders (e.g., schizophrenia) and neurodegenerative diseases (Alzheimer’s disease: AD). In the present study, three ligand-based methods (QSAR modeling, pharmacophore mapping, and shape-based screening)...

Descripción completa

Detalles Bibliográficos
Autores principales:	Yu, Yangxi, Dong, Hiep, Peng, Youyi, Welsh, William J.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8434483/ https://www.ncbi.nlm.nih.gov/pubmed/34500703 http://dx.doi.org/10.3390/molecules26175270

Ejemplares similares

Sigma-2 receptor ligands QSAR model dataset
por: Rescifina, Antonio, et al.
Publicado: (2017)

Recent advances in drug discovery efforts targeting the sigma 1 receptor system: Implications for novel medications designed to reduce excessive drug and food seeking
por: Knowles, Liam G., et al.
Publicado: (2023)

QSAR Accelerated Discovery of Potent Ice Recrystallization Inhibitors
por: Briard, Jennie G., et al.
Publicado: (2016)

Comprehensive ensemble in QSAR prediction for drug discovery
por: Kwon, Sunyoung, et al.
Publicado: (2019)

QSAR-Based Virtual Screening: Advances and Applications in Drug Discovery
por: Neves, Bruno J., et al.
Publicado: (2018)

Pharmacology and Therapeutic Potential of Sigma(1) Receptor Ligands
por: Cobos, E.J, et al.
Publicado: (2008)

Discovery of AD258 as a Sigma Receptor Ligand with Potent Antiallodynic Activity
por: Dichiara, Maria, et al.
Publicado: (2023)

Synthesis, Computational Insights, and Evaluation of Novel Sigma Receptors Ligands
por: Dichiara, Maria, et al.
Publicado: (2023)

Sigma Receptor (σR) Ligands with Antiproliferative and Anticancer Activity
por: Georgiadis, Markos-Orestis, et al.
Publicado: (2017)

The Intriguing Sigma-1 and Sigma-2 Receptors and Their Potential Therapeutic Roles 2.0
por: Abate, Carmen, et al.
Publicado: (2023)

Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery
por: Bosc, Nicolas, et al.
Publicado: (2019)

Hybridizing Feature Selection and Feature Learning Approaches in QSAR Modeling for Drug Discovery
por: Ponzoni, Ignacio, et al.
Publicado: (2017)

Meta-QSAR: a large-scale application of meta-learning to drug design and discovery
por: Olier, Ivan, et al.
Publicado: (2017)

QSAR and molecular docking for the search of AOX inhibitors: a rational drug discovery approach
por: Rosell-Hidalgo, Alicia, et al.
Publicado: (2020)

Sigma Receptor Ligands Prevent COVID Mortality In Vivo: Implications for Future Therapeutics
por: Berkowitz, Reed L., et al.
Publicado: (2023)

Discovery of High-Affinity Cannabinoid Receptors Ligands through a 3D-QSAR Ushered by Scaffold-Hopping Analysis †
por: Floresta, Giuseppe, et al.
Publicado: (2018)

Computational examples of solutions to differential equations which simulate growth of axial oscillations in an FFAG accelerator operated near the $\sigma_{x} = 2\sigma_{y}$ resonance
por: Laslett, L J
Publicado: (1957)

Docking, Interaction Fingerprint, and Three-Dimensional Quantitative Structure–Activity Relationship (3D-QSAR) of Sigma1 Receptor Ligands, Analogs of the Neuroprotective Agent RC-33
por: Velázquez-Libera, José Luis, et al.
Publicado: (2019)

QSAR of anti-inflammatory drugs
por: Khayrullina, Veronica R, et al.
Publicado: (2010)

Comparative QSAR analysis of cyclo-oxygenase2 inhibiting drugs
por: Mohanapriya, Arumugam, et al.
Publicado: (2012)

Discovery of N-cyclobutylaminoethoxyisoxazole derivatives as novel sigma-1 receptor ligands with neurite outgrowth efficacy in cells
por: Sun, Hao, et al.
Publicado: (2018)

2D-QSAR and 3D-QSAR Analyses for EGFR Inhibitors
por: Zhao, Manman, et al.
Publicado: (2017)

Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery
por: Krstajic, Damjan
Publicado: (2019)

QSAR ligand dataset for modelling mutagenicity, genotoxicity, and rodent carcinogenicity
por: Guan, Davy, et al.
Publicado: (2018)

Characterization of CM-398, a Novel Selective Sigma-2 Receptor Ligand, as a Potential Therapeutic for Neuropathic Pain
por: Wilson, Lisa L., et al.
Publicado: (2022)

Results on $F_{2}$ and $R=\sigma_{L}/\sigma_{T}$ from deep-inelastic muon scattering
por: Van Middelkoop, G
Publicado: (1997)

Sigma-1 and Sigma-2 receptor ligands induce apoptosis and autophagy but have opposite effect on cell proliferation in uveal melanoma
por: Longhitano, Lucia, et al.
Publicado: (2017)

Hazards of Using Masking Protocols When Performing Ligand Binding Assays: Lessons From the Sigma-1 and Sigma-2 Receptors
por: Abbas, Haider, et al.
Publicado: (2020)

Accelerating Therapeutics for Opportunities in Medicine: A Paradigm Shift in Drug Discovery
por: Hinkson, Izumi V., et al.
Publicado: (2020)

Sigma-2 ligands induce tumour cell death by multiple signalling pathways
por: Zeng, C, et al.
Publicado: (2012)

Morphing of Ibogaine: A Successful Attempt into the Search for Sigma-2 Receptor Ligands
por: Floresta, Giuseppe, et al.
Publicado: (2019)

Discovery and computational studies of piperidine/piperazine-based compounds endowed with sigma receptor affinity
por: De Luca, Laura, et al.
Publicado: (2023)

Conjugation to the sigma-2 ligand SV119 overcomes uptake blockade and converts dm-Erastin into a potent pancreatic cancer therapeutic
por: Ohman, Kerri A., et al.
Publicado: (2016)

Sigma-2 receptor ligands potentiate conventional chemotherapies and improve survival in models of pancreatic adenocarcinoma
por: Kashiwagi, Hiroyuki, et al.
Publicado: (2009)

TMEM97 and PGRMC1 do not mediate sigma-2 ligand-induced cell death
por: Zeng, Chenbo, et al.
Publicado: (2019)

Reply to “Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery”
por: Bosc, Nicolas, et al.
Publicado: (2019)

Tree-Based QSAR Model for Drug Repurposing in the Discovery of New Antibacterial Compounds against Escherichia coli
por: Suay-Garcia, Beatriz, et al.
Publicado: (2020)

QSAR Modeling for Multi-Target Drug Discovery: Designing Simultaneous Inhibitors of Proteins in Diverse Pathogenic Parasites
por: Kleandrova, Valeria V., et al.
Publicado: (2021)

CRNNTL: Convolutional Recurrent Neural Network and Transfer Learning for QSAR Modeling in Organic Drug and Material Discovery
por: Li, Yaqin, et al.
Publicado: (2021)

Sigma-2 receptor ligand as a novel method for delivering a SMAC mimetic drug for treating ovarian cancer
por: Zeng, C, et al.
Publicado: (2013)

Cannot write session to /tmp/vufind_sessions/sess_3tqaeg918cp2l3u7uuriq0vsai