Review
doi: 10.2174/156802609789207127.
Structure-based drug design strategies in medicinal chemistry
Affiliations
- PMID: 19754394
- DOI: 10.2174/156802609789207127
Item in Clipboard
Review
Structure-based drug design strategies in medicinal chemistry
Curr Top Med Chem.
2009.
Free article
Abstract
A broad variety of medicinal chemistry approaches can be used for the identification of hits, generation of leads, as well as to accelerate the development of high quality drug candidates. Structure-based drug design (SBDD) methods are becoming increasingly powerful, versatile and more widely used. This review summarizes current developments in structure-based virtual screening and receptor-based pharmacophores, highlighting achievements as well as challenges, along with the value of structure-based lead optimization, with emphasis on recent examples of successful applications for the identification of novel active compounds.
Similar articles
-
Fragment-based QSAR: perspectives in drug design.Mol Divers. 2009 Aug;13(3):277-85. doi: 10.1007/s11030-009-9112-5. Epub 2009 Jan 31. Mol Divers. 2009. PMID: 19184499 Review.
-
Recent developments in structure-based drug design.J Mol Med (Berl). 2000;78(5):269-81. doi: 10.1007/s001090000084. J Mol Med (Berl). 2000. PMID: 10954199 Review.
-
4D-QSAR: perspectives in drug design.Molecules. 2010 May 4;15(5):3281-94. doi: 10.3390/molecules15053281. Molecules. 2010. PMID: 20657478 Free PMC article. Review.
-
Informatics and modeling challenges in fragment-based drug discovery.Curr Opin Drug Discov Devel. 2007 May;10(3):289-97. Curr Opin Drug Discov Devel. 2007. PMID: 17554855 Review.
-
From theory to bench experiment by computer-assisted drug design.Chimia (Aarau). 2012;66(3):120-4. doi: 10.2533/chimia.2012.120. Chimia (Aarau). 2012. PMID: 22546255 Review.
Cited by
-
Process of Fragment-Based Lead Discovery-A Perspective from NMR.Molecules. 2016 Jul 16;21(7):854. doi: 10.3390/molecules21070854. Molecules. 2016. PMID: 27438813 Free PMC article. Review.
-
Non-clinical studies required for new drug development - Part I: early in silico and in vitro studies, new target discovery and validation, proof of principles and robustness of animal studies.Braz J Med Biol Res. 2016 Oct 24;49(11):e5644. doi: 10.1590/1414-431X20165644. Braz J Med Biol Res. 2016. PMID: 27783811 Free PMC article. Review.
-
Developing an effective polarizable bond method for small molecules with application to optimized molecular docking.RSC Adv. 2020 Apr 20;10(26):15530-15540. doi: 10.1039/d0ra01483d. eCollection 2020 Apr 16. RSC Adv. 2020. PMID: 35495446 Free PMC article.
-
Identification of Antifungal Targets Based on Computer Modeling.J Fungi (Basel). 2018 Jul 4;4(3):81. doi: 10.3390/jof4030081. J Fungi (Basel). 2018. PMID: 29973534 Free PMC article. Review.
-
Discovery of Novel α4β2 Neuronal Nicotinic Receptor Modulators through Structure-Based Virtual Screening.ACS Med Chem Lett. 2011 Sep 18;2(11):855-60. doi: 10.1021/ml2001714. eCollection 2011 Nov 10. ACS Med Chem Lett. 2011. PMID: 24936233 Free PMC article.
Publication types
MeSH terms
Substances
LinkOut - more resources
Full Text Sources
