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Automated assays for thermodynamic (equilibrium) solubility determination
Tomás Sou1, Christel A S Bergström1
1Department of Pharmacy, Uppsala University, BMC P.O. Box 580, SE-751 23 Uppsala, Sweden.
Drug Discovery Today. Technologies
|August 15, 2018
Summary
Early identification of drug candidate solubility is vital. Automated assays and computational methods accelerate the evaluation of thermodynamic solubility for high throughput screening in drug development.
Area of Science:
- Pharmacology
- Medicinal Chemistry
- Physical Chemistry
Background:
- Solubility is a critical physicochemical property for drug candidates, impacting oral absorption and bioassay results.
- Poor solubility can hinder drug development by masking compound activity and affecting bioavailability.
- Early identification of solubility issues is essential to mitigate risks in drug discovery and development.
Purpose of the Study:
- To review automated thermodynamic solubility assays for high throughput screening.
- To discuss recent advancements in high throughput measurements of solubility-related properties.
- To provide an overview of predictive computational methods for thermodynamic solubility.
Main Methods:
- Review of current automated thermodynamic solubility assay technologies.
- Analysis of high throughput measurements for dissolution rate and supersaturation.
- Literature survey of predictive computational methods for solubility.
Main Results:
- Automated assays are increasingly important for rapid evaluation of numerous compounds.
- High throughput measurements of dissolution rate and supersaturation offer complementary solubility insights.
- Various computational methods exist for predicting thermodynamic solubility.
Conclusions:
- Automated thermodynamic solubility assays are crucial for early-stage drug discovery.
- Integrating various solubility measurements and predictive tools enhances compound evaluation.
- Addressing solubility liabilities early optimizes the drug development process.
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