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Creation of an Inter-university Network for the study and design of drugs assisted by computers. Phase 2: Structure-activity relationships QSAR as a tool for drug development

General Objective: Establish the relationship between the structure of a series of synthetic chalcones and their biological activities through QSAR strategies, considering criteria of substituent effects, electronic density, atomic charge and Bader analysis.

Specific objectives:

  • To determine the biological activity of a series of synthetic chalcones in "in vitro" tests that will include antioxidant and inhibitory activity of the glucoside enzyme involved in the development of metabolic diseases.
  • Establish the structure-activity relationships of the series of compounds under study applying QSAR methodologies.
  • Validate the model obtained and indicate candidate structures for drug development.
  • Strengthen the expertise and participation of RedFármacos researchers through real meetings and disseminate the results through an international scientific publication in a peer-reviewed and indexed high-impact journal.

Participating Institutions:

USFQ, UCUECA, UTPL.

Participants:

  • Cesar Zambrano
  • Maria Elena Cazar Ramirez
  • Silvia Gonzalez Perez
  • Luis Rincon
  • Ximena Veronica Jaramillo Fierro
  • Victor Postligua
  • Valeria Alexandra Puga C
  • Maritza Raphaela Ochoa Castro
  • Wilson Giovanni Larriva

Awarded budget: $40000

Project status: Finished