Target-based compound library design and synthesis

2004 ◽  
Vol 3 (2) ◽  
pp. 48-50 ◽  
Author(s):  
Mark R. Player
Keyword(s):  
Library Design ◽  
Compound Library ◽  
Design And Synthesis

scholarly journals New Spiro[cycloalkane-pyridazinone] Derivatives with Favorable Fsp3 Character

Chemistry ◽  
2020 ◽  
Vol 2 (4) ◽  
pp. 837-848
Author(s):  
Csilla Sepsey Für ◽  
Hedvig Bölcskei
Keyword(s):  
High Throughput Screening ◽  
Pharmaceutical Companies ◽  
Compound Library ◽  
Aromatic Rings ◽  
Lead Discovery ◽  
Lipinski’S Rule ◽  
Design And Synthesis ◽  
Lipinski’S Rule Of Five ◽  
Pyridazinone Derivatives ◽  
New Compounds

The large originator pharmaceutical companies need more and more new compounds for their molecule banks, because high throughput screening (HTS) is still a widely used method to find new hits in the course of the lead discovery. In the design and synthesis of a new compound library, important points are in focus nowadays: Lipinski’s rule of five (RO5); the high Fsp3 character; the use of bioisosteric heterocycles instead of aromatic rings. With said aim in mind, we have synthesized a small compound library of new spiro[cycloalkane-pyridazinones] with 36 members. The compounds with this new scaffold may be useful in various drug discovery projects.

scholarly journals Design and synthesis of DNA-encoded libraries based on a benzodiazepine and a pyrazolopyrimidine scaffold

MedChemComm ◽  
2016 ◽  
Vol 7 (10) ◽  
pp. 1957-1965 ◽  
Author(s):  
M. Klika Škopić ◽  
O. Bugain ◽  
K. Jung ◽  
S. Onstein ◽  
S. Brandherm ◽  
...  
Keyword(s):  
Combinatorial Chemistry ◽  
Library Design ◽  
Design And Synthesis

DNA-encoded libraries based on scaffolds functionalized for DNA-compatible chemistry were synthesized by split-and-pool combinatorial chemistry. The library design was aided by a chemoinformatic filtering cascade.

A Prospective Cross-Screening Study on G-Protein-Coupled Receptors: Lessons Learned in Virtual Compound Library Design

2012 ◽  
Vol 55 (11) ◽  
pp. 5311-5325 ◽  
Author(s):  
Marijn P. A. Sanders ◽  
Luc Roumen ◽  
Eelke van der Horst ◽  
J. Robert Lane ◽  
Henry F. Vischer ◽  
...  
Keyword(s):  
G Protein ◽  
Lessons Learned ◽  
G Protein Coupled Receptors ◽  
Library Design ◽  
Compound Library ◽  
Screening Study ◽  
G Protein Coupled

Identification of potent ITK inhibitors through focused compound library design including structural information

2010 ◽  
Vol 20 (23) ◽  
pp. 6998-7003 ◽  
Author(s):  
Matthias Herdemann ◽  
Isabelle Heit ◽  
Frank-Uwe Bosch ◽  
Gianluca Quintini ◽  
Claudia Scheipers ◽  
...  
Keyword(s):  
Structural Information ◽  
Library Design ◽  
Compound Library
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