In silico modeling and docking studies of Soap Nut Trypsin Inhibitor

► SNTI, a new molecular entity was characterized in Sapindus trifoliatus. ► SNTI is the first protease inhibitor showing antidandruff activity. ► SNTI is the first inhibitor molecule to be modeled from family Sapindaceae using in silico tools. ► Increasing information will increase quality of research applications of protease inhibitors.