Kaushik, Aman Chandra and Kumar, Ajay and Bharadwaj, Shiv Kumar and Chaudhary, Ravi and Sahi, Shakti (2018) Thermodynamic cycles and their application in protein targets. In: Kaushik, Aman Chandra and Kumar, Ajay and Bharadwaj, Shiv and Chaudhary, Ravi and Sahi, Shakti, (eds.) Bioinformatics Techniques for Drug Discovery: Applications for Complex Diseases. SpringerBriefs in Computer Science. Springer Cham, pp. 43-46. ISBN 978-3-319-75731-5 (Print) 978-3-319-75732-2 (Online)
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Official URL: https://dx.doi.org/10.1007/978-3-319-75732-2_7
Abstract
A key part of drug design and development is the optimization of molecular interactions between an engineered drug candidate and its binding target. Thermodynamic characterization provides information about the balance of energetic forces driving binding interactions and is essential for understanding and optimizing molecular interactions. Comprehensive thermodynamic evaluation is vital in the drug development process to speed drug development towards an optimal energetic interaction profile while retaining good pharmacological properties. Practical thermodynamic approaches, such as enthalpic optimization, thermodynamic optimization plots and the enthalpic efficiency index, have now been developed to provide proven utility in design process. Improved throughput in calorimetric methods remains essential for even greater integration of thermodynamics into drug design.
| Item Type: | Book Section / Chapter |
|---|---|
| Uncontrolled Keywords: | Enthalpic efficiency index; Enthalpic optimization; Pharmacological properties; Thermodynamic characterization |
| Divisions: | Sabancı University Nanotechnology Research and Application Center |
| Depositing User: | Shiv Kumar Bharadwaj |
| Date Deposited: | 30 Jul 2023 22:25 |
| Last Modified: | 30 Jul 2023 22:25 |
| URI: | https://research.sabanciuniv.edu/id/eprint/46580 |
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