Login / Signup

Multicomponent Assembly of the Kinesin Spindle Protein Inhibitor CPUYJ039 and Analogues as Antimitotic Agents.

Carlos CarbajalesJun-Ichi SawadaGiovanni MarzaroEddy SoteloLuz EscalanteAntonio Sánchez-Díaz MartaXerardo García-MeraAkira AsaiAlberto Coelho
Published in: ACS combinatorial science (2017)
The potent kinesin spindle protein inhibitor CPUYJ039 and a set of analogues were prepared by a target-oriented approach based on a Ugi reaction that uses 2-nitrophenyl isocyanides as key building blocks. The herein documented strategy provides straightforward and atom economical access to potent benzimidazole-based antimitotic agents by exploring the versatility and exploratory power of the Ugi reaction. The results of docking studies and biological activity evaluations of the benzimidazole compounds are also reported.
Keyphrases
  • molecular docking
  • protein protein
  • molecular dynamics simulations
  • molecular dynamics
  • small molecule
  • binding protein
  • anti inflammatory
  • electron transfer
  • structure activity relationship