Ligand based virtual screening is an
extremely useful tool in identification of lead molecules, especially for less
explored molecular targets. Amongst many techniques available, 3D pharmacophore
model based virtual screening methods are most successful.
Virtual screening of
chemical libraries compiling known therapeutics has significantly helped in
knowledge-based rational drug repositioning. It has been recently recognized as
an effective strategy to aid novel drug discovery for rare and neglected conditions
.3D Shape based screening method; Rapid Overlay of Chemical Structures (ROCS)
found to be very successful in identification of chemically diverse compounds
possessing similar bioactivity profile and hence used for our study. Read more>>>>>>>>>>>
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