Structure-based virtual screening of chemical libraries for drug discovery
One of the main goals in drug discovery is to identify new chemical entities that have a high likelihood of binding to the target protein to elicit the desired biological response. To this end, virtual screening is being increasingly used as a complement to high-throughput screening to improve the s...
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| Veröffentlicht in: | Current opinion in chemical biology 2006-06, Vol.10 (3), p.194-202 |
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| container_title | Current opinion in chemical biology |
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| creator | Ghosh, Sutapa Nie, Aihua An, Jing Huang, Ziwei |
| description | One of the main goals in drug discovery is to identify new chemical entities that have a high likelihood of binding to the target protein to elicit the desired biological response. To this end, virtual screening is being increasingly used as a complement to high-throughput screening to improve the speed and efficiency of the drug discovery and development process. The availability of inexpensive high-performance computing platforms in recent years has transformed this field into one that is highly diverse and rapidly evolving, where large chemical databases have been successfully screened to identify hits for a wide range of targets such as Bcl-2 family proteins, G protein-coupled receptors, kinases, metalloproteins, nuclear hormone receptors, proteases and many more. |
| doi_str_mv | 10.1016/j.cbpa.2006.04.002 |
| format | Article |
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| ispartof | Current opinion in chemical biology, 2006-06, Vol.10 (3), p.194-202 |
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| language | eng |
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| source | MEDLINE; Elsevier ScienceDirect Journals |
| subjects | Acetylcholinesterase - drug effects Algorithms Apoptosis - drug effects Cholinesterase Inhibitors - chemistry Cholinesterase Inhibitors - pharmacology Database Management Systems Drug Design Molecular Structure Receptors, Estrogen - drug effects Receptors, G-Protein-Coupled - chemistry Receptors, G-Protein-Coupled - drug effects |
| title | Structure-based virtual screening of chemical libraries for drug discovery |
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