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The SistematX Web Portal of Natural Products: An Update.

Renan P O CostaLucas F LucenaLorena Mara A SilvaGuilherme Julião ZocoloChonny Herrera-AcevedoLuciana ScottiFernando Batista Da-CostaNikita IonovVladimir V PoroikovEugene N MuratovMarcus Tullius Scotti
Published in: Journal of chemical information and modeling (2021)
Natural products and their secondary metabolites are promising starting points for the development of drug prototypes and new drugs, as many current treatments for numerous diseases are directly or indirectly related to such compounds. State-of-the-art, curated, integrated, and frequently updated databases of secondary metabolites are thus highly relevant to drug discovery. The SistematX Web Portal, introduced in 2018, is undergoing development to address this need and documents crucial information about plant secondary metabolites, including the exact location of the species from which the compounds were isolated. SistematX also allows registered users to log in to the data management area and gain access to administrative pages. This study reports recent updates and modifications to the SistematX Web Portal, including a batch download option, the generation and visualization of 1H and 13C nuclear magnetic resonance spectra, and the calculation of physicochemical (drug-like and lead-like) properties and biological activity profiles. The SistematX Web Portal is freely available at http://sistematx.ufpb.br.
Keyphrases
  • drug discovery
  • magnetic resonance
  • ms ms
  • density functional theory
  • emergency department
  • health information
  • magnetic resonance imaging