Literature DB >> 34014674

The SistematX Web Portal of Natural Products: An Update.

Renan P O Costa1, Lucas F Lucena1, Lorena Mara A Silva2, Guilherme Julião Zocolo2, Chonny Herrera-Acevedo1, Luciana Scotti1, Fernando Batista Da-Costa3, Nikita Ionov4, Vladimir Poroikov4, Eugene N Muratov5, Marcus T Scotti1.   

Abstract

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.

Entities:  

Year:  2021        PMID: 34014674     DOI: 10.1021/acs.jcim.1c00083

Source DB:  PubMed          Journal:  J Chem Inf Model        ISSN: 1549-9596            Impact factor:   4.956


  3 in total

1.  Computer-Assisted Discovery of Alkaloids with Schistosomicidal Activity.

Authors:  Renata Priscila Barros de Menezes; Jéssika de Oliveira Viana; Eugene Muratov; Luciana Scotti; Marcus Tullius Scotti
Journal:  Curr Issues Mol Biol       Date:  2022-01-15       Impact factor: 2.976

Review 2.  Natural product drug discovery in the artificial intelligence era.

Authors:  F I Saldívar-González; V D Aldas-Bulos; J L Medina-Franco; F Plisson
Journal:  Chem Sci       Date:  2021-12-13       Impact factor: 9.825

Review 3.  Progress and Impact of Latin American Natural Product Databases.

Authors:  Alejandro Gómez-García; José L Medina-Franco
Journal:  Biomolecules       Date:  2022-08-30
  3 in total

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