Author(s):
Valli, Marilia [UNESP] ; Russo, Helena Mannochio [UNESP] ; Pilon, Alan Cesar [UNESP] ; Pinto, Meri Emili Ferreira [UNESP] ; Dias, Nathalia B. [UNESP] ; Freire, Rafael Teixeira ; Castro-Gamboa, Ian [UNESP] ; Bolzani, Vanderlan Da Silva [UNESP]
Date: 2020
Persistent ID: http://hdl.handle.net/11449/199887
Origin: Oasisbr
Subject(s): dereplication; NMR and MS databases; spectral similarity networks; dereplication; dereplication; NMR and MS databases; NMR and MS databases; spectral similarity networks; spectral similarity networks
Description
Made available in DSpace on 2020-12-12T01:51:57Z (GMT). No. of bitstreams: 0 Previous issue date: 2019-11-01
Technological advances have contributed to the evolution of the natural product chemistry and drug discovery programs. Recently, computational methods for nuclear magnetic resonance (NMR) and mass spectrometry (MS) have speeded up and facilitated the process of structural elucidation even in high complex biological samples. In this chapter, the current computational tools related to NMR and MS databases and spectral similarity networks, as well as their applications on dereplication and determination of biological biomarkers, are addressed.
Nuclei of Bioassays Biosynthesis and Ecophysiology of Natural Products (NuBBE) Department of Organic Chemistry Institute of Chemistry São Paulo State University (UNESP), Av. Prof. Francisco Degni, 55
Nucleus of Research in Natural Products and Synthetics Dep. Physics and Chemistry Faculty of Pharmaceutical Sciences of Ribeirão Preto São Paulo University
Dept. Biology/CEIS Institute of Biosciences of Rio Claro São Paulo State University (UNESP), Av. 24A n.1515
Medway Metabonomics Research Group University of Greenwich (UoG)
Nuclei of Bioassays Biosynthesis and Ecophysiology of Natural Products (NuBBE) Department of Organic Chemistry Institute of Chemistry São Paulo State University (UNESP), Av. Prof. Francisco Degni, 55
Dept. Biology/CEIS Institute of Biosciences of Rio Claro São Paulo State University (UNESP), Av. 24A n.1515
