1. Pharmacophore Identificiation
and Model Generation
Angelin Figueroa
Alejandra Gonzalez
Juan Maldonado
Gustavo Martínez
Student Mentor: Carlos Santos

2. Objectives
Create Pharmacophore Model (LigandScout)
for the selected targets using the previous
identification of the hydrophobic regions.

5. Generating a Pharmacophore
Model
Benzene mapping provide us the skeleton of our potential
pharmacophore models

6. Brief Methodology
We took the benzene molecules previously
indentified by the first group and separate
them into different files, using Pymol.
Generation of pharmacophore feautres
based on each of them using Ligand Scout.
Merged the pharmacophore features and
created the pharmacophore model
The model will be used by the next group a
virtual pre-screening of Drug Databases
(~19 million drug-like compounds) against
our model.

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12. Perspective 2

13. Perspective 3