ArticleMolecules (Basel, Switzerland)2018
Structure-Activity Relationships Based on 3D-QSAR CoMFA/CoMSIA and Design of Aryloxypropanol-Amine Agonists with Selectivity for the Human β3-Adrenergic Receptor and Anti-Obesity and Anti-Diabetic Profiles.
Article in Molecules (Basel, Switzerland), 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed.
- A BBB-permeable βScience advances · 2026Article
- Rational Design of Novel Inhibitors: Integrating 3D-QSAR and Molecular Dynamics.BioMed research international · 2026Article
- Evaluation of antiobesogenic properties of fermented foods: In silico insights.Journal of food science · 2025Review
- Structure-Activity Relationship Studies Based on 3D-QSAR CoMFA/CoMSIA for Thieno-Pyrimidine Derivatives as Triple Negative Breast Cancer Inhibitors.Molecules (Basel, Switzerland) · 2022Article
- Rac1 as a Target to Treat Dysfunctions and Cancer of the Bladder.Biomedicines · 2022Review
- Selectivity and Maximum Response of Vibegron and Mirabegron for βCurrent therapeutic research, clinical and experimental · 2022Article
- An Evaluation of the Efficacy and Safety of Vibegron in the Treatment of Overactive Bladder.Therapeutics and clinical risk management · 2022Review
- Evaluation of the Effect of a Novel β3-Adrenergic Agonist on Choroidal Vascularity.Investigative ophthalmology & visual science · 2021Article
- Interrogation ofSaudi journal of biological sciences · 2021Article
- 3D-QSAR, molecular docking, and molecular dynamics simulation study of thieno[3,2-RSC advances · 2020Article
- Three-Dimensional Quantitative Structure-Activity Relationships (3D-QSAR) on a Series of Piperazine-Carboxamides Fatty Acid Amide Hydrolase (FAAH) Inhibitors as a Useful Tool for the Design of New Cannabinoid Ligands.International journal of molecular sciences · 2019Article
- Molecular Modeling and Design Studies of Purine Derivatives as Novel CDK2 Inhibitors.Molecules (Basel, Switzerland) · 2018Article
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Authors and funding
8 authors.
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Abstract
The wide tissue distribution of the adrenergic β3 receptor makes it a potential target for the treatment of multiple pathologies such as diabetes, obesity, depression, overactive bladder (OAB), and cancer. Currently, there is only one drug on the market, mirabegron, approved for the treatment of OAB. In the present study, we have carried out an extensive structure-activity relationship analysis of a series of 41 aryloxypropanolamine compounds based on three-dimensional quantitative structure-activity relationship (3D-QSAR) techniques. This is the first combined comparative molecular field analysis (CoMFA) and comparative molecular similarity index analysis (CoMSIA) study in a series of selective aryloxypropanolamines displaying anti-diabetes and anti-obesity pharmacological profiles. The best CoMFA and CoMSIA models presented values of
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