Evaluation of In Vitro Antiprotease Activity of Selected Traditional Medicinal Herbs in Dentistry and Its In Silico PASS Prediction

Figure 2

Docking of trypsin with azadirachtin, chebulagic acid, catechin, and piperine. (a) The binding mode of azadirachtin (green), chebulagic acid (cyan), catechin (magenta), and piperine (yellow) with trypsin. (b) The solvent-accessible surface area of the trypsin binding pocket with the docked structure of azadirachtin, chebulagic acid, catechin, and piperine. Here, all the compounds prefer the same binding site of the trypsin receptor.