Pedro Vásquez-Ocmín Paris Sud University
We propose a biodereplication method using mass spectrometry and combining the classical dereplication approach with the predominant mechanism of action of antimalarial drugs. The method encompasses a biomimetic heme binding assay (heme adducts detection by MS), molecular networking for quick data mining, CPC for extract fractionation and compounds isolation and in silico modeling of heme adducts by molecular docking.
download asset 200209_Bioderep-heme_preprint.pdf 1 MB [opens in a new tab] cloud_download
pdf : 1 MB
download asset 200209_Bioderep-heme_SI_preprint.pdf 2 MB [opens in a new tab] cloud_download
pdf : 2 MB
200209 Bioderep-heme SI preprint