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Investigation of the Click-Chemical Space for Drug Design Using ZINClick

Risultato della ricerca: Capitolo in libro/report/atti di convegno › Contributo in volume (Capitolo o Saggio) › peer review

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.
Lingua originaleInglese
Titolo della pubblicazione ospiteMethods in Molecular Biology
EditoreHumana Press Inc.
Pagine3-10
Numero di pagine8
Volume2266
ISBN (stampa)978-1-0716-1208-8
DOI
Stato di pubblicazionePubblicato - 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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