Structure-Based Virtual Screening for Drug Discovery: Principles, Applications and Recent Advances
Biomedical Research Foundation of the Academy of Athens · Academy of Athens · +2 more institutions
Abstract
Structure-based drug discovery (SBDD) is becoming an essential tool in assisting fast and cost-efficient lead discovery and optimization. The application of rational, structure-based drug design is proven to be more efficient than the traditional way of drug discovery since it aims to understand the molecular basis of a disease and utilizes the knowledge of the three-dimensional structure of the biological target in the process. In this review, we focus on the principles and applications of Virtual Screening (VS) within the context of SBDD and examine different procedures ranging from the initial stages of the process that include receptor and library pre-processing, to docking, scoring and post-processing of…
Citation impact
- FWCI
- 31.56
- Percentile
- 100%
- References
- 116
Authors
4- ELEvanthia LiontaCorresponding
Biomedical Research Foundation of the Academy of Athens, Academy of Athens
- GMGeorge M. Spyrou
Bentham Science Publishers (China), Bentham Science Publishers (United Arab Emirates)
- DKDemetrios K. Vassilatis
Academy of Athens, Biomedical Research Foundation of the Academy of Athens
- ZCZoe Cournia
Academy of Athens
Topics & keywords
- Virtual screening
- Drug discovery
- Computer science
- Computational biology
- Context (archaeology)
- Docking (animal)
- Drug design
- Business process discovery
- Good health and well-being