Investigation of potential anti-pneumococcal effects of L-sulforaphane and metabolites: Insights from synchrotron-FTIR microspectroscopy and molecular docking studies
Julia Liang, Anita Mantelos, Zheng Quan Toh, Stephanie M Tortorella, Katherine Ververis, Jitraporn Vongsvivut, Keith R Bambery, Paul Licciardi, Andrew Hung, Tom C Karagiannis
JOURNAL OF MOLECULAR GRAPHICS & MODELLING | ELSEVIER SCIENCE INC | Published : 2020
Streptococcus pneumoniae infection can lead to pneumococcal disease, a major cause of mortality in children under the age of five years. In low- and middle-income country settings where pneumococcal disease burden is high, vaccine use is low and widespread antibiotic use has led to increased rates of multi-drug resistant pneumococci. l-sulforaphane (LSF), derived from broccoli and other cruciferous vegetables, has established anti-inflammatory, antioxidant, and anti-microbial properties. Hence, we sought to investigate the potential role of LSF against pneumococcal infection. Using a combination of in vitro and computational methods, the results showed that LSF and relevant metabolites had a..View full abstract
This research was undertaken on the IRM beamline at the Australian Synchrotron, part of ANSTO. We would like to acknowledge intellectual and financial support by McCord Research (Iowa, USA). JL is supported by an Australian Government Research Training Program Scholarship. PVL is a recipient of an NHMRC CDF2 Fellowship. We thank the National Computing Infrastructure (NCI), and the Pawsey Supercomputing Centre in Australia (funded by the Australian Government), and the Partnership for Advanced Computing in Europe (PRACE) for awarding the access to Piz Daint, hosted at the Swiss National Supercomputing Centre (CSCS), Switzerland.