Impact of the Protein Data Bank on antineoplastic approvals
| Autor: | R. Soskind, John D. Westbrook, Stephen K. Burley, Brian P. Hudson |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
0301 basic medicine
Protein Conformation Protein Data Bank (RCSB PDB) Druggability Antineoplastic Agents Computational biology Article 03 medical and health sciences 0302 clinical medicine Drug Discovery Animals Humans Databases Protein Melanoma Protein Kinase Inhibitors Pharmacology biology computer.file_format Protein Data Bank Small molecule 030104 developmental biology Allosteric enzyme 030220 oncology & carcinogenesis biology.protein Molecular targets computer |
| Zdroj: | Drug Discov Today |
| ISSN: | 1359-6446 |
| DOI: | 10.1016/j.drudis.2020.02.002 |
| Popis: | Open access to 3D structure information from the Protein Data Bank (PDB) facilitated discovery and development of >90% of the 79 new antineoplastic agents (54 small molecules, 25 biologics) with known molecular targets approved by the FDA 2010–2018. Analyses of PDB holdings, the scientific literature and related documents for each drug–target combination revealed that the impact of public-domain 3D structure data was broad and substantial, ranging from understanding target biology (~95% of all targets) to identifying a given target as probably druggable (~95% of all targets) to structure-guided lead optimization (>70% of all small-molecule drugs). In addition to aggregate impact assessments, illustrative case studies are presented for three protein kinase inhibitors, an allosteric enzyme inhibitor and seven advanced-stage melanoma therapeutics. |
| Databáze: | OpenAIRE |
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