I don't know if it is the best for your study, but you could try using the AutoDock software - http://autodock.scripps.edu/

Thank you for your suggestion. I'll try this

Girija , there is no specific docking software available for maride drugs. Most of available docking softwares handles small molecules and even small peptides. In case of natural compounds, you can use any of listed softwares.

Autodock4(Freely available)

FlexX(Commercial)

Surflex(Commercial)

SwissDock( Server)

Dock6(Freely available)

What you can do , try different freely available softwares and compare results in order to get the reliable docked pose.

Thank you for your valuable suggstion sir.

Hi,

You can try softwares like AutoDock, AutoDock vina, IgemDock, DOCK, GOLD suit, etc

Regards