Molecular docking procedure followed by using Maestro 9.6 (Schrödinger Inc).  All natural compounds were docked with the X-ray crystal structures of selected proteins by employing grid-based ligand docking with energetics Maestro 9.6. 
Maestro 9.6
Molecular docking procedure followed by using Maestro 9.6 (Schrödinger Inc). 
Schrödinger Inc
IBS natural compounds docked with each selected protein molecules by using GLIDE high throughput virtual screening.  On the basis of Gscore, we selected 20 compounds from IBS (50,000 compounds) along with 68 anticancer compounds from published literature for GLIDE extra precision molecular docking. 
GLIDE
IBS natural compounds docked with each selected protein molecules by using GLIDE high throughput virtual screening.  On the basis of Gscore, we selected 20 compounds from IBS (50,000 compounds) along with 68 anticancer compounds from published literature for GLIDE extra precision molecular docking. 
IBS