Figure 6
From: TPS1 drug design for rice blast disease in magnaporthe oryzae
Lead 25 was shown to interatct strongly with Tps1. (a) the RMSD of backbones of Tps1, Tps1-G6p complex, Tps1-NADPH complex, Tps1-UDP-Glucose complex and Tps1-Lead 25 complex during 10 ns of simulation; (b) the number of H-bonds of Tps1-G6p complex, Tps1-NADPH complex, Tps1-UDP_Glucose complex and Tps1-Lead 25 complex during 10 ns of simulation; (c) the energies between the ligands and Tps1, with the unit being kJ/mol; (d) the 2D binding confirmation of Tps1-Lead 25 plotted by Ligplot, (e) the predicted logP values of Lead 25 and Compound 24789937.