Invitro And Insilico Anti Angiogenesis Of Plant

864 words - 4 pages

Most of the drugs available today are from plant origin, which can avoid not only side effects but also multiple steps in the synthesis of chemical compounds. It is the oldest form of health care known to mankind which is reported in herbal pharmacopoeia. Along the lines, we have identified that one of the Sophora family members (Sophora flavescens) has shown to arrest the cell cycle and inhibit the angiogenesis by down regulating the expression of VEGF. Sophora family members are distributed across the world and they showed to have many pharmacological actions. To identify and characterize the antiangiogenic compounds present in the Sophora family members, we have collected S. interrupta, ...view middle of the document...

068, Funiculosin is -1.081 and Apigenin is -1.409 (-3.0 to 1.2), Lipinski rule of five is 0 for compounds (number of violations maximum is 4). Polar surface area (PSA) has shown to inversely correlate with lipid penetration ability. Compounds that are completely absorbed by humans tend to have PSA values of ≤60Å2, while compounds with PSA >140 Å2 are less than 10% absorbed. The docked compounds shown PSA between the range of 58 to 100, it suggests that this compounds likely to support drug-likeness proposed by Lipinski. Molecular Docking studies were performed to identify the favorable interactions between one or more ligand molecules with two of the vascular endothelial growth factor receptor 1 and 2 (VEGFR1 and VEGFR2). For that we have retrieved VEGFR1 and VEGFR2 protein co-ordinates from 3HNG and 3U6J. Respective crystallized ligands were separated from VEGFR1 and VEGFR2; self-docking results were performed to identify the active site amino acid residues. Results showed that ligand against VEGFR1 (3HNG) from a direct hydrogen bond interaction with Glu 878, Cys 912, and Asp 1040. Whereas, Lys 868, Cys 919 and Asp 1046 residues form a direct hydrogen bond interaction with VEGFR2 (3U6J). Using similar co-ordinates we have docked all filtered plant compounds to identify similar interaction patterns. We have identified 3 plant compounds with similar/identical interaction pattern as similar to commonly used antiangiogenic drugs such as Resveratrol and other antiangiogenic compounds; Apigenin from traditional Korean medicine is used as a reference compound. Funiculosin and Thermopsine showed strong hydrogen bond interactions with Cys 919, Thr 916 and Phe 1047 amino...

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