Details

Autor(en) / Beteiligte

• Costa, Renan P. O
• Lucena, Lucas F
• Silva, Lorena Mara A
• Zocolo, Guilherme Julião
• Herrera-Acevedo, Chonny
• Scotti, Luciana
• Da-Costa, Fernando Batista
• Ionov, Nikita
• Poroikov, Vladimir
• Muratov, Eugene N
• Scotti, Marcus T

Titel

The SistematX Web Portal of Natural Products: An Update

Ist Teil von

• Journal of chemical information and modeling, 2021-06, Vol.61 (6), p.2516-2522

Ort / Verlag

United States: American Chemical Society

Erscheinungsjahr

2021

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• 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.