Discovery of novel agonists and antagonists of the free fatty acid receptor 1 (FFAR1) using virtual screening.

By I. Tikhonova, C. Sum, S. Neumann, Stanislav Engel, B. Raaka, Stefano Costanzi, M. Gershengorn. 2008

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Virtual screening strategies in drug discovery: a critical review. (2013, background): “It is accessible only when both 3D structures of the target protein (X-ray, NMR, comparative modeling) and known active compounds are available and a number of attempts have been made to do so [122-128].”
Docking & Chemoinformatic Screens for New Ligands and Targets (2009, background): “AdoMetDC [4] Glide AHAS [5] DOCK 4/Au Aldose reductase [6] N/A CDC25 phosphatase [7] FRED/Surfl DNA gyrase [8] DOCK 5 EphB4 [9] DAIM-SEED FFAR1 [10] Glide Histamine H4 [11] FlexX Human pregnane X [12] Surflex MCH-R1 [13] ICM Pim-1 kinase [14] Glide PNP [15] GOLD PPAR-g [16] Glide/IFD Tm0936 [17] DOC”