This document discusses reverse pharmacognosy, an approach that starts with a biologically active molecule and uses computational tools to identify potential plant sources of that molecule, rather than the conventional approach of screening many plant extracts. It describes Selenergy software that predicts molecule-protein interactions and identifies biological targets. Case studies are presented on identifying targets of ε-viniferin from grapes, meranzin from Limnocitrus, and tofisopam. Reverse pharmacognosy can accelerate drug discovery, allow drug repositioning, and decrease plant usage compared to conventional screening methods.

1. REVERSE
PHARMACOGNOSY
PRESENTED BY,
GIRIJA MAGANTI
MPHARM(PHARMACOLOGY)
G.PULLAREDDY COLLEGE OF
PHARMACY

2. INTRODUCTION
Normally we start from the plant and get the
useful molecule. Here we start with knowing
which molecule would affect a key enzyme,
and finding which plants could be a source of
that particular molecule .

4. Development is much
faster than
conventional
screening. We just
need to test one
molecule, where
in the traditional way,
they looked at 10,000.

6. SELENERGY
• Inverse docking software predicts interaction
between ligand and protein.
• It is database of 7000 proteins structures with
annotated biological property
• Provides the estimation of synergy that
molecule have on set of proteins.

7. Ligand finding synergy with
proteins

8. STUDY ON ε-VINIFERIN
• Using this inverse docking software biological
targets of ε-viniferin are get identified
• Among 400 screened proteins two targets are
retained
• It shows selectivity for PDE4 and DR,other
PDE subtypes(1,2,3,5,6)are not retained.
• This selectivity was confirmed by evaluation
of TNFα and IL-8 secretion.

9. STUDY ON LIMNOCITRUSS
• Another study on identification of binding site
targets of meranzin using selenergy
• Among 400 screened proteins 3 targets were
selected(cox1,cox2,PPARgamma)

10. STUDY ON TOFISOPAM
• The racemic form of drug is used to treat
anxiety in olden days.
• By applying drug reposition strategy to
tofisopam using selenergy revealed that the
isomers are able to fit with PDE4.

11. ADVANTAGES
• Accelerate drug discovery and development
shortens the time and cost of R&D(finds new
appplications of new plants)
• Drug reposition(target hoping)
• Decreases plant usage.

12. REFERENCES
• current drug discovery technologies.
• Greenpharma sas, 3 allée du titane 45100
orléans, france.
• curr pharm des. 2010 may;16(15):1682-96
pub med.

13. THANK YOU