Benzene Identification of a Proteinto Produce a Pharmacophore Model            RISE Program           Alberto Cintron     ...
Objectives• Benzene Clusters Identification• Creating a Pharmacophore Model using the hot spots  identified by the cluster...
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 w...
Benzene 1
Benzene 2
Benzene 3
Benzene 4
Pharmacophore Model
adfvadfvadfc vacf ac adc qdfc qdf qf qdvf qdgfv dvg f q
adfvadfvadfc vacf ac adc qdfc qdf qf qdvf qdgfv dvg f q
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adfvadfvadfc vacf ac adc qdfc qdf qf qdvf qdgfv dvg f q

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  • Benzene 13
  • Benzene3 (021)
  • adfvadfvadfc vacf ac adc qdfc qdf qf qdvf qdgfv dvg f q

    1. 1. Benzene Identification of a Proteinto Produce a Pharmacophore Model RISE Program Alberto Cintron Nicole Colon Natalia Manzano Wilmarie Morales Mentor: Carlos Santos
    2. 2. Objectives• Benzene Clusters Identification• Creating a Pharmacophore Model using the hot spots identified by the clusters identification
    3. 3. Terminology• Hot spots:• Pharmacophore Model• Benzenes• Cluster
    4. 4. 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)
    5. 5. Benzene 1
    6. 6. Benzene 2
    7. 7. Benzene 3
    8. 8. Benzene 4
    9. 9. Pharmacophore Model

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