MOTIVATION: Although natural products represent a reservoir of molecular diversity, the process of isolating and identifying active compounds is a bottleneck in drug discovery programs. The rapid isolation and identification of the bioactive component(s) of natural product mixtures during the bioassay-guided fractionation have become crucial factors in the competition with chemical compound libraries and combinatorial synthetic efforts. In this respect, the use of spectral databases in identification processes is indispensable. RESULTS: We have developed a database containing (13)C spectral information of over 6000 natural compounds, which allows for fast identifications of known compounds present in the crude extracts and provides insight into the structural elucidation of unknown compounds. AVAILABILITY: http://c13.usal.es
MOTIVATION: Although natural products represent a reservoir of molecular diversity, the process of isolating and identifying active compounds is a bottleneck in drug discovery programs. The rapid isolation and identification of the bioactive component(s) of natural product mixtures during the bioassay-guided fractionation have become crucial factors in the competition with chemical compound libraries and combinatorial synthetic efforts. In this respect, the use of spectral databases in identification processes is indispensable. RESULTS: We have developed a database containing (13)C spectral information of over 6000 natural compounds, which allows for fast identifications of known compounds present in the crude extracts and provides insight into the structural elucidation of unknown compounds. AVAILABILITY: http://c13.usal.es
Authors: B Markus Lange; Justin T Fischedick; Malte F Lange; Narayanan Srividya; Dunja Šamec; Brenton C Poirier Journal: Plant Physiol Date: 2016-11-18 Impact factor: 8.340
Authors: Eleni Alexandri; Raheel Ahmed; Hina Siddiqui; Muhammad I Choudhary; Constantinos G Tsiafoulis; Ioannis P Gerothanassis Journal: Molecules Date: 2017-10-05 Impact factor: 4.411
Authors: Fidele Ntie-Kang; James A Mbah; Luc Meva'a Mbaze; Lydia L Lifongo; Michael Scharfe; Joelle Ngo Hanna; Fidelis Cho-Ngwa; Pascal Amoa Onguéné; Luc C Owono Owono; Eugene Megnassan; Wolfgang Sippl; Simon M N Efange Journal: BMC Complement Altern Med Date: 2013-04-16 Impact factor: 3.659