Creating novel activated factor XI inhibitors through fragment based lead generation and structure aided drug design.
Fjellström O, Akkaya S, Beisel HG, Eriksson PO, Erixon K, Gustafsson D, Jurva U, Kang D, Karis D, Knecht W, Nerme V, Nilsson I, Olsson T, Redzic A, Roth R, Sandmark J, Tigerström A, Öster L.
Fjellström O, et al.
PLoS One. 2015 Jan 28;10(1):e0113705. doi: 10.1371/journal.pone.0113705. eCollection 2015.
PLoS One. 2015.
PMID: 25629509
Free PMC article.
A virtual screen, based on docking experiments, was performed to generate a FXIa targeted fragment library for an NMR screen that resulted in the identification of fragments binding in the FXIa S1 binding pocket. The neutral 6-chloro-3,4-dihydro-1H …
A virtual screen, based on docking experiments, was performed to generate a FXIa targeted fragment library for an NMR screen that resulted i …