Virtual Screening of Natural Products to Select Compounds with Potential Anticancer Activity

Anticancer Agents Med Chem. 2019;19(2):154-171. doi: 10.2174/1871520618666181119110934.

Abstract

Cancer is the main cause of death, so the search for active agents to be used in the therapy of this disease, is necessary. According to studies conducted, substances derived from natural products have shown to be promising in this endeavor. To these researches, one can associate with the aid of computational chemistry, which is increasingly gaining popularity, due to the possibility of developing alternative strategies that could help in choosing an appropriate set of compounds, avoiding unnecessary expenses with resources that would generate unwanted substance. Thus, the objective of this study was to carry out an approach to several studies that apply different methods of virtual screening to select natural products with potential anticancer activity. This review presents reports of studies conducted with some natural products, such as coumarin, quinone, tannins, alkaloids, flavonoids and terpenes.

Keywords: Cancer; computational chemistry; natural products; potential anticancer activity; secondary metabolites; virtual screening..

Publication types

  • Review

MeSH terms

  • Animals
  • Antineoplastic Agents / chemistry
  • Antineoplastic Agents / pharmacology*
  • Biological Products / chemistry
  • Biological Products / pharmacology*
  • Cell Proliferation / drug effects
  • Drug Evaluation, Preclinical
  • Humans
  • Molecular Structure
  • Neoplasms / drug therapy*
  • Neoplasms / pathology

Substances

  • Antineoplastic Agents
  • Biological Products