Design, Synthesis, Characterization and Biological Evaluation of Pim-1 Inhibitor for Anticancer Activity.

Vijayan, P (2012) Design, Synthesis, Characterization and Biological Evaluation of Pim-1 Inhibitor for Anticancer Activity. Masters thesis, College of Pharmacy, Madras Medical College , Chennai.

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The present study and research has been to identify new molecule for anticancer capable to inhibit pim 1 hence the following processes were carried out. Identification of Common Pharmacophore for Pim1, Preparation of database of ligands, Scaffold identification by docking, Investigation of ADME parameters of selected molecules, Synthesis of molecules related to scaffhold, Characterization of synthesized molecules by TLC, IR spectroscopy, Nuclear Magnetic Resonance spectroscopy and mass spectroscopy, Acute toxicity study in albino mice, In vitro Anticancer Investigation of synthesized molecules against HCT cell lines. CONCLUSION: The present work is generating the Pharmacophore hypothesis that can be successfully used to predict biological activity. The models were capable of predicting the activities. The knowledge of Pharmacophore model was used to design and selective of new scaffolds. The selection, investigation and preparation of receptor protein from pdb for pim1 and docking of the molecule from the database against prepared Pim 1 receptor protein was carried out. The best scaffold selected from ligand database based, on the Pharmacophore predicted value and docking score against pim1 receptor, were chosen for software based ADME studies. The selected scaffold was investigated for the ADME properties. The selected molecules having good ADME properties, were selected for synthesis. The synthesis of molecules PV1, PV2, PV3 and PV4 was carried out using the identified scaffold. The Synthetic procedure involved condensation followed by cyclisation. The synthesized molecules, where characterized by using IR, NMR and MASS spectrometry. Acute toxicity studied of synthesized molecules was carried using albino mice. The LD50 value of the synthesized compound was above 2000mg/kg. The invitro anticancer activity was done using MTT assay method. The synthesized molecules PV1, PV2 and PV3 showed the activity.PV4 showed the less activity because hydrophobic feature is not available compare to the other compounds.

Item Type: Thesis (Masters)
Uncontrolled Keywords: Design; Synthesis; Characterization; Biological Evaluation; Pim-1 Inhibitor; Anticancer Activity
Subjects: PHARMACY > Pharmaceutical Chemistry
Depositing User: Ravindran C
Date Deposited: 20 Oct 2017 06:46
Last Modified: 20 Oct 2017 06:46

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