RISE ProgramAlberto Cintron

Nicole Colon Natalia ManzanoWilmarie Morales

Mentor: Carlos Santos

Benzene Identification of a Protein to Produce a Pharmacophore Model

Objectives

• Benzene Clusters Identification• Creating a Pharmacophore Model using the hot spots

identified by the clusters identification

Terminology• Hot spots:• Pharmacophore Model• Benzenes• Cluster

Methodology• Part I• Using the PyMol Program we saved the molecule with the

benzenes.• Part II• Using LigandScout we produce the pharmacophore model

• Generate the model using the specific benzenes(1, 13, 21, 26)

Benzene 1

Benzene 2

Benzene 3

Benzene 4

Pharmacophore Model