DNA-encoded chemistry: enabling the deeper sampling of chemical space
RA Goodnow Jr, CE Dumelin, AD Keefe - Nature Reviews Drug …, 2017 - nature.com
DNA-encoded chemical library technologies are increasingly being adopted in drug
discovery for hit and lead generation. DNA-encoded chemistry enables the exploration of …
discovery for hit and lead generation. DNA-encoded chemistry enables the exploration of …
[HTML][HTML] Chemical probes and drug leads from advances in synthetic planning and methodology
CJ Gerry, SL Schreiber - Nature Reviews Drug Discovery, 2018 - nature.com
Screening of small-molecule libraries is a productive method for identifying both chemical
probes of disease-related targets and potential starting points for drug discovery. In this …
probes of disease-related targets and potential starting points for drug discovery. In this …
[HTML][HTML] Understanding the diversity of the metal-organic framework ecosystem
Millions of distinct metal-organic frameworks (MOFs) can be made by combining metal
nodes and organic linkers. At present, over 90,000 MOFs have been synthesized and over …
nodes and organic linkers. At present, over 90,000 MOFs have been synthesized and over …
Rigorous free energy simulations in virtual screening
Virtual high throughput screening (vHTS) in drug discovery is a powerful approach to identify
hits: when applied successfully, it can be much faster and cheaper than experimental high …
hits: when applied successfully, it can be much faster and cheaper than experimental high …
Switchable 1, 2-rearrangement enables expedient synthesis of structurally diverse fluorine-containing scaffolds
Y Ping, Q Pan, Y Guo, Y Liu, X Li… - Journal of the …, 2022 - ACS Publications
Skeletal rearrangement that changes the connectivity of the molecule via cleavage and
reorganization of carbon–carbon bonds is a fundamental and powerful strategy in complex …
reorganization of carbon–carbon bonds is a fundamental and powerful strategy in complex …
Diversity-oriented synthesis as a tool for the discovery of novel biologically active small molecules
Biologically active molecules can be identified through the screening of small-molecule
libraries. Deficiencies in current compound collections are evidenced by the continuing …
libraries. Deficiencies in current compound collections are evidenced by the continuing …
Chemical genetics of Plasmodium falciparum
Malaria caused by Plasmodium falciparum is a disease that is responsible for 880,000
deaths per year worldwide. Vaccine development has proved difficult and resistance has …
deaths per year worldwide. Vaccine development has proved difficult and resistance has …
Determining target engagement in living systems
GM Simon, MJ Niphakis, BF Cravatt - Nature chemical biology, 2013 - nature.com
Chemical probes are critical tools for elucidating the biological functions of proteins and can
lead to new medicines for treating disease. The pharmacological validation of protein …
lead to new medicines for treating disease. The pharmacological validation of protein …
Scaffold diversity synthesis and its application in probe and drug discovery
M Garcia‐Castro, S Zimmermann… - Angewandte Chemie …, 2016 - Wiley Online Library
Scaffold diversity is a crucial feature of compound collections that has a huge impact on their
success in biological screenings. The synthesis of highly complex and diverse scaffolds …
success in biological screenings. The synthesis of highly complex and diverse scaffolds …
Natural products as starting points for the synthesis of complex and diverse compounds
KC Morrison, PJ Hergenrother - Natural product reports, 2014 - pubs.rsc.org
Covering: up to 2013 Natural products and their derivatives are used as treatments for
numerous diseases. Many of these compounds are structurally complex, possessing a high …
numerous diseases. Many of these compounds are structurally complex, possessing a high …