Structure-based approach for in-silico drug designing

Kaushik, Aman Chandra and Kumar, Ajay and Bharadwaj, Shiv Kumar and Chaudhary, Ravi and Sahi, Shakti (2018) Structure-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. 21-25. ISBN 978-3-319-75731-5 (Print) 978-3-319-75732-2 (Online)

Full text not available from this repository. (Request a copy)


In recent years, research area of structure-based drug design is a rising field that has been used to achieve many successes. Structure-based computer-aided drug design (SB-CADD) depends on the ability to determine and analyse the 3D structures of the target of interest. In other words, a prerequisite for the SB-CADD approach can be defined based on molecule’s ability to interrelate with a specific ligand, that can be a chemical species or biomolecule such as protein, and a desired biological activity based on its ability to favourably interact at a binding site on the selected target. This purposed that the molecules sharing those favourable interactions will reflect the similar biological effects. Therefore, novel ligands can be predicted and concluded by careful analysis of a protein’s binding site. Also, structure-based approach for drug designing allows a rapid selection of potential ligands from different and large compound libraries that can be later validated through modelling/simulation and visualization techniques.
Item Type: Book Section / Chapter
Uncontrolled Keywords: 3D structures; Modelling/simulation and visualization techniques; Protein’s binding site; SB-CADD
Divisions: Sabancı University Nanotechnology Research and Application Center
Depositing User: Shiv Kumar Bharadwaj
Date Deposited: 30 Jul 2023 23:09
Last Modified: 30 Jul 2023 23:09

Actions (login required)

View Item
View Item