Drug discovery and computational strategies in the multitarget drugs era

  • Jéssika de Oliveira Viana Federal University of Paraíba. Health Sciences Center. Program of Natural and Synthetic Bioactive Products
  • Mayara Barbalho Félix Federal University of Paraíba. Health Sciences Center. Program of Natural and Synthetic Bioactive Products
  • Mayarara dos Santos Maia Federal University of Paraíba. Health Sciences Center. Program of Natural and Synthetic Bioactive Products
  • Vanessa de Lima Serafim Federal University of Paraíba. Health Sciences Center. Program of Natural and Synthetic Bioactive Products
  • Luciana Scotti Federal University of Paraíba. Health Sciences Center. Program of Natural and Synthetic Bioactive Products
  • Marcus Tullius Scotti Federal University of Paraíba. Health Sciences Center. Program of Natural and Synthetic Bioactive Products
Keywords: Drug design, Multitarget compounds, In silico, Diseases

Abstract

The pharmaceutical industry is increasingly joining chemoinformatics in the search for the development of new drugs to be used in the treatment of diseases. These computational studies have the advantage of being less expensive and optimize the study time, and thus the interest in this area is increasing. Among the techniques used is the development of multitarget directed ligands (MTDLs), which has become an ascending technique, mainly due to the improvement in the quality of treatment involving several drugs. Multitarget therapy is more effective than traditional drug therapy that emphasizes maximum selectivity for a single target. In this review a multitarget drug survey was carried out as a promising strategy in several important diseases: neglected diseases, neurodegenerative diseases, AIDS, and cancer. In addition, we discuss Computer-Aided Drug Design (CADD) techniques as a tool in the projection of multitarget compounds against these diseases.

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Published
2018-12-28
How to Cite
Viana, J., Félix, M., Maia, M., Serafim, V., Scotti, L., & Scotti, M. (2018). Drug discovery and computational strategies in the multitarget drugs era. Brazilian Journal of Pharmaceutical Sciences, 54(Especial), e01010. https://doi.org/10.1590/s2175-97902018000001010
Section
Review