Kaushik, Aman Chandra and Kumar, Ajay and Bharadwaj, Shiv Kumar and Chaudhary, Ravi and Sahi, Shakti (2018) Ligand-based approach for in-silico drug designing. 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. 11-19. 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_2
Abstract
In this chapter, a brief introduction to ligand-based methodologies employed for designing of drug has been described. Generally, ligand-based approach for drug designing (LB-CADD) technique is employed when biological target structure is not known and hence, this technique is considered as an ancillary approach for the drug designing. The theoretical basis of ligand-based approach involves quantitative structure–activity relationships (QSAR) and biomolecular docking studies. Like molecular descriptors, molecular fingerprint, similarity searches, similarity networks and off-target predictions. Finally, a brief description of the present work is given.
Item Type: | Book Section / Chapter |
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Uncontrolled Keywords: | 2D or 3D structure; LB-CADD; Molecular descriptors; Molecular fingerprint; QSAR |
Divisions: | Sabancı University Nanotechnology Research and Application Center |
Depositing User: | Shiv Kumar Bharadwaj |
Date Deposited: | 30 Jul 2023 22:30 |
Last Modified: | 30 Jul 2023 22:30 |
URI: | https://research.sabanciuniv.edu/id/eprint/46581 |