ReviewFrontiers in pharmacology2018
Exploring G Protein-Coupled Receptors (GPCRs) Ligand Space via Cheminformatics Approaches: Impact on Rational Drug Design.
Review in Frontiers in pharmacology, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 62 papers, 1 of them a synthesis that pooled it.
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Who cites it
62 citing papers in PubMed, 1 synthesis or guideline pooled it.
- Cannabinoid Receptors: An Update on Cell Signaling, Pathophysiological Roles and Therapeutic Opportunities in Neurological, Cardiovascular, and Inflammatory Diseases.International journal of molecular sciences · 2020Pooled it
- Deep learning reveals endogenous sterols as allosteric modulators of the GPCR-Gα interface.eLife · 2025Article
- Small-Molecule Ligands of Rhodopsin and Their Therapeutic Potential in Retina Degeneration.International journal of molecular sciences · 2025Review
- In search of a photoswitchable drug for serotonin receptors: a molecular dynamics simulation study.RSC advances · 2025Article
- Identification of Orthosteric GABAACS omega · 2025Article
- The role of avocado plant and its derivatives in the management of diabetes mellitus: a natural approach to glycemic control.Journal of diabetes and metabolic disorders · 2025Review
- Toward Predictive Models of Biased Agonists of the Mu Opioid Receptor.Biochemistry · 2025Article
- Agonist activation to open the Gα subunit of the GPCR-G protein precoupled complex defines functional agonist activation of TAS2R5.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- Ligand-induced conformational changes in the β1-adrenergic receptor revealed by hydrogen-deuterium exchange mass spectrometry.Nature communications · 2024Article
- Toxicological Evaluation of Kaempferol and Linearolactone as Treatments for Amoebic Liver Abscess Development inInternational journal of molecular sciences · 2024Article
- Influence of Trp-Cage on the Function and Stability of GLP-1R Agonist Exenatide Derivatives.Journal of medicinal chemistry · 2024Article
- Receptor Pharmacogenomics: Deciphering Genetic Influence on Drug Response.International journal of molecular sciences · 2024Review
- Tumor-Homing Peptides as Crucial Component of Magnetic-Based Delivery Systems: Recent Developments and Pharmacoeconomical Perspective.International journal of molecular sciences · 2024Review
- Systematic characterization of multi-omics landscape between gut microbial metabolites and GPCRome in Alzheimer's disease.Cell reports · 2024Article
- A fluorescently-tagged tick kinin neuropeptide triggers peristalsis and labels tick midgut muscles.Scientific reports · 2024Article
- A Bright Future? A Perspective on Class C GPCR Based Genetically Encoded Biosensors.ACS chemical neuroscience · 2024Review
- Design of an effective small expression tag to enhance GPCR production in E. coli-based cell-free and whole cell expression systems.Protein science : a publication of the Protein Society · 2023Article
- Oncoinformatic screening of the gene clusters involved in the HER2-positive breast cancer formation along with the in silico pharmacodynamic profiling of selective long-chain omega-3 fatty acids as the metastatic antagonists.Molecular diversity · 2023Article
- GPCR molecular dynamics forecasting using recurrent neural networks.Scientific reports · 2023Article
- The Lateral Metalation of Isoxazolo[3,4-Molecules (Basel, Switzerland) · 2023Article
2 more citing papers are in PubMed but not listed here.
Corrections and comments
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Authors and funding
7 authors.
Funding
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Abstract
The primary goal of rational drug discovery is the identification of selective ligands which act on single or multiple drug targets to achieve the desired clinical outcome through the exploration of total chemical space. To identify such desired compounds, computational approaches are necessary in predicting their drug-like properties. G Protein-Coupled Receptors (GPCRs) represent one of the largest and most important integral membrane protein families. These receptors serve as increasingly attractive drug targets due to their relevance in the treatment of various diseases, such as inflammatory disorders, metabolic imbalances, cardiac disorders, cancer, monogenic disorders, etc. In the last decade, multitudes of three-dimensional (3D) structures were solved for diverse GPCRs, thus referring to this period as the "golden age for GPCR structural biology." Moreover, accumulation of data about the chemical properties of GPCR ligands has garnered much interest toward the exploration of GPCR chemical space. Due to the steady increase in the structural, ligand, and functional data of GPCRs, several cheminformatics approaches have been implemented in its drug discovery pipeline. In this review, we mainly focus on the cheminformatics-based paradigms in GPCR drug discovery. We provide a comprehensive view on the ligand- and structure-based cheminformatics approaches which are best illustrated
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