Review
doi: 10.1016/j.chembiol.2003.09.002.
The process of structure-based drug design
Affiliations
- PMID: 14522049
- DOI: 10.1016/j.chembiol.2003.09.002
Item in Clipboard
Review
The process of structure-based drug design
Chem Biol.
2003 Sep.
Abstract
The field of structure-based drug design is a rapidly growing area in which many successes have occurred in recent years. The explosion of genomic, proteomic, and structural information has provided hundreds of new targets and opportunities for future drug lead discovery. This review summarizes the process of structure-based drug design and includes, primarily, the choice of a target, the evaluation of a structure of that target, the pivotal questions to consider in choosing a method for drug lead discovery, and evaluation of the drug leads. Key principles in the field of structure-based drug design will be illustrated through a case study that explores drug design for AmpC beta-lactamase.
Similar articles
-
Structural and Functional Aspects of Extended-Spectrum AmpC Cephalosporinases.Curr Drug Targets. 2016;17(9):1051-60. doi: 10.2174/1573399811666150615144707. Curr Drug Targets. 2016. PMID: 26073861 Review.
-
An update on β-lactamase inhibitor discovery and development.Drug Resist Updat. 2018 Jan;36:13-29. doi: 10.1016/j.drup.2017.11.002. Epub 2017 Nov 7. Drug Resist Updat. 2018. PMID: 29499835 Review.
-
Structural basis for the extended substrate spectrum of AmpC BER and structure-guided discovery of the inhibition activity of citrate against the class C β-lactamases AmpC BER and CMY-10.Acta Crystallogr D Struct Biol. 2016 Aug;72(Pt 8):976-85. doi: 10.1107/S2059798316011311. Epub 2016 Jul 28. Acta Crystallogr D Struct Biol. 2016. PMID: 27487828
-
Structure-based approach for binding site identification on AmpC beta-lactamase.J Med Chem. 2002 Jul 18;45(15):3222-34. doi: 10.1021/jm020002p. J Med Chem. 2002. PMID: 12109906
-
Structure-based design and in-parallel synthesis of inhibitors of AmpC beta-lactamase.Chem Biol. 2001 Jun;8(6):593-611. doi: 10.1016/s1074-5521(01)00034-5. Chem Biol. 2001. PMID: 11410378
Cited by
-
Neuropsychiatric Effects of HIV Antiviral Medications.Drug Saf. 2016 Oct;39(10):945-57. doi: 10.1007/s40264-016-0440-y. Drug Saf. 2016. PMID: 27534750 Review.
-
Identification of RNA-Binding Proteins as Targetable Putative Oncogenes in Neuroblastoma.Int J Mol Sci. 2020 Jul 19;21(14):5098. doi: 10.3390/ijms21145098. Int J Mol Sci. 2020. PMID: 32707690 Free PMC article.
-
AKT Inhibitors: The Road Ahead to Computational Modeling-Guided Discovery.Int J Mol Sci. 2021 Apr 11;22(8):3944. doi: 10.3390/ijms22083944. Int J Mol Sci. 2021. PMID: 33920446 Free PMC article.
-
Anticoagulants: A Short History, Their Mechanism of Action, Pharmacology, and Indications.Cells. 2022 Oct 13;11(20):3214. doi: 10.3390/cells11203214. Cells. 2022. PMID: 36291080 Free PMC article. Review.
-
Virtual Screening, Biological Evaluation, and 3D-QSAR Studies of New HIV-1 Entry Inhibitors That Function via the CD4 Primary Receptor.Molecules. 2018 Nov 20;23(11):3036. doi: 10.3390/molecules23113036. Molecules. 2018. PMID: 30463393 Free PMC article.
Publication types
MeSH terms
Substances
LinkOut - more resources
Full Text Sources
Other Literature Sources
