Abstract
This chapter provides a brief overview of the applications of ZINClick virtual library. In the last years, we have investigated the click-chemical space covered by molecules containing the triazole ring and generated a database of 1,2,3-triazoles called ZINClick, starting from literature reported alkynes and azides synthesizable in no more than three synthetic steps from commercially available products. This combinatorial database contains millions of 1,4-disubstituted 1,2,3-triazoles that are easily synthesizable. The library is regularly updated and can be freely downloaded from http://www.ZINClick.org. This virtual library is a good starting point to explore a new portion of chemical space.
| Original language | English |
|---|---|
| Title of host publication | Methods in Molecular Biology |
| Publisher | Humana Press Inc. |
| Pages | 3-10 |
| Number of pages | 8 |
| Volume | 2266 |
| ISBN (Print) | 978-1-0716-1208-8 |
| DOIs | |
| Publication status | Published - 2021 |
Keywords
- Alkynes
- Azides
- Chemical space
- Chemoinformatics
- Click Chemistry
- Databases, Chemical
- Diversity
- Drug Design
- Drug Discovery
- Library design
- Similarity
- Small Molecule Libraries
- Software
- Triazoles
- Virtual screening
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