Pharmacophore model
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Pharmacophore model

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  • Benzene 13
  • Benzene3 (021)

Pharmacophore model Pharmacophore model Presentation Transcript

  • Benzene Identification of a Proteinto Produce a Pharmacophore Model RISE Program Alberto Cintron Nicole Colon Natalia Manzano Wilmarie Morales Mentor: Carlos Santos
  • 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