Data quality in drug discovery: the role of analytical performance in ligand binding assays
| العنوان: | Data quality in drug discovery: the role of analytical performance in ligand binding assays |
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| المؤلفون: | Markus Nachbar, Sami El Deeb, Franziska Steinicke, Hassan M. Albishri, Deia Abd El-Hady, Frank M. Böckler, Knut Baumann, Hermann Wätzig, Imke Oltmann-Norden, Thomas E. Exner, Hassan A. Alhazmi |
| المصدر: | Journal of Computer-Aided Molecular Design. 29:847-865 |
| بيانات النشر: | Springer Science and Business Media LLC, 2015. |
| سنة النشر: | 2015 |
| مصطلحات موضوعية: | Magnetic Resonance Spectroscopy, Databases, Factual, Nanotechnology, Calorimetry, Ligands, Sensitivity and Specificity, Fluorescence, Capillary electrophoresis, Drug Discovery, medicine, Physical and Theoretical Chemistry, Surface plasmon resonance, Immunoassay, medicine.diagnostic_test, Chemistry, Microscale thermophoresis, Drug discovery, Ligand binding assay, Electrophoresis, Capillary, Surface Plasmon Resonance, Data Accuracy, Computer Science Applications, Pharmaceutical Preparations, Drug development, Data quality, Biological Assay, Biochemical engineering |
| الوصف: | Despite its importance and all the considerable efforts made, the progress in drug discovery is limited. One main reason for this is the partly questionable data quality. Models relating biological activity and structures and in silico predictions rely on precisely and accurately measured binding data. However, these data vary so strongly, such that only variations by orders of magnitude are considered as unreliable. This can certainly be improved considering the high analytical performance in pharmaceutical quality control. Thus the principles, properties and performances of biochemical and cell-based assays are revisited and evaluated. In the part of biochemical assays immunoassays, fluorescence assays, surface plasmon resonance, isothermal calorimetry, nuclear magnetic resonance and affinity capillary electrophoresis are discussed in details, in addition radiation-based ligand binding assays, mass spectrometry, atomic force microscopy and microscale thermophoresis are briefly evaluated. In addition, general sources of error, such as solvent, dilution, sample pretreatment and the quality of reagents and reference materials are discussed. Biochemical assays can be optimized to provide good accuracy and precision (e.g. percental relative standard deviation |
| تدمد: | 1573-4951 0920-654X |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e3ef65a430dc19b1aa87c4f4c24f4e1b https://doi.org/10.1007/s10822-015-9851-6 |
| حقوق: | CLOSED |
| رقم الأكسشن: | edsair.doi.dedup.....e3ef65a430dc19b1aa87c4f4c24f4e1b |
| قاعدة البيانات: | OpenAIRE |
Find this article in full text from Springer Verlag. | تدمد: | 15734951 0920654X |
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