Binding mode analysis

Brecx, V, Papeleu, P., Iterbeke, K., Geerlings, P. et al. (2003) Amide analogues of TSA Synthesis, binding mode analysis and HDAC inhibition. Bioorganic S, Medicinal Chemistry Letters, 13, 1861-1864. 

Zhao et al. implemented a structure-based docking protocol to narrow down 500 compounds from a database of 57 compounds in their pursuit of FKBPs inhibitors (89). A novel scaffold was designed using the information obtained from the binding mode analysis of a known weak binder. To avoid any scoring function shortcomings, three scoring functions were used to select the 500 compounds. Of these, 43 were synthesized and tested to identify one potent inhibitor in a mouse peripheral synthetic nerve model. 

C. Homodimers as enzyme IV. BINDING MODE ANALYSIS twin drugs interacting... 

IV. Binding Mode Analysis of Identical and Non-Identical Twin Drugs... 

IV. BINDING MODE ANALYSIS OF IDENTICAL AND NON-IDENTICAL TWIN DRUGS... 

Shoemaker B. A., A. R. Panchenko, S. H. Bryant. 2006. Finding biologically relevant protein domain interactions Conserved binding mode analysis. Protein Sci. 15, 352-361. 

Kiss, R Noszal, B., Racz, A., Falus, A., Eros, D and Keseru, G.M. (2008) Binding mode analysis and enrichment studies on homology models of the human histamine H4 receptor. European Journal of Medicinal Chemistry, 43 (5), 1059-1070. 

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