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Docing-Based Virtual Screening Studies For Ets-1 Inhibitors Using Indian Plant Anticancer

By: Sara Mehreen | Dr. Aqeel Javeed.
Contributor(s): Prof. Dr. Muhammad Ashraf.
Material type: materialTypeLabelBookPublisher: 2013Subject(s): Department of Pharmaoclogy & ToxicologyDDC classification: 1572,T Dissertation note: This study is designed to screen drug molecule against phosphorylation site of transcription factor Ets-1. Molecular docking was carried out by using AUTODOCK 4.02. One compound (Picrocrocin) was selected with binding energy of -4.23kcal/mol, making 3 hydrogen bonds with active site residues after molecular docking. Picrocrocin is present in saffron. Ethanolic extract of saffron stigmas was prepared and preserved in laboratory. CAM (chick chorioallantoic membrane) assay was performed. The aqueous solutions of 0.25%, 0.5%, 1%, 1.5%, 2%, 3%, 6%, and 12% of ethanolic extract of saffron were prepared. All of eight concentrations were applied to CAMs on fifth day of incubation of chick embryos. One group was treated as control receiving distilled water without any extract. The diameters of primary, secondary, tertiary blood vessels of control were 12µm, 8µm, 6µm respectively, for 2% treated samples values were 2µm, 1µm, 0.3 µm respectively and for 3% treated samples diameter was 3µm, 2 µm, and 1 µm respectively. Area of abbott curves for control, 2% and 3% treated samples were 0.0545 mm², 0.0538 mm² and 0.0540 mm² respectively. At 25 & 3% concentrations, values roughness parameters were lowest of all other samples. The present study results with discovery of novel antiangiogenic compound that is constituent of plant saffron. Inhibitory effect of saffron on cell reproduction, cytotoxicity and anti-angiogenic effect presents saffron as efficient candidate in cancer chemotherapy.
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Veterinary Science 1572,T (Browse shelf) Available 1572,T
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This study is designed to screen drug molecule against phosphorylation site of transcription factor Ets-1. Molecular docking was carried out by using AUTODOCK 4.02. One compound (Picrocrocin) was selected with binding energy of -4.23kcal/mol, making 3 hydrogen bonds with active site residues after molecular docking. Picrocrocin is present in saffron. Ethanolic extract of saffron stigmas was prepared and preserved in laboratory. CAM (chick chorioallantoic membrane) assay was performed. The aqueous solutions of 0.25%, 0.5%, 1%, 1.5%, 2%, 3%, 6%, and 12% of ethanolic extract of saffron were prepared. All of eight concentrations were applied to CAMs on fifth day of incubation of chick embryos. One group was treated as control receiving distilled water without any extract.
The diameters of primary, secondary, tertiary blood vessels of control were 12µm, 8µm, 6µm respectively, for 2% treated samples values were 2µm, 1µm, 0.3 µm respectively and for 3% treated samples diameter was 3µm, 2 µm, and 1 µm respectively. Area of abbott curves for control, 2% and 3% treated samples were 0.0545 mm², 0.0538 mm² and 0.0540 mm² respectively. At 25 & 3% concentrations, values roughness parameters were lowest of all other samples.
The present study results with discovery of novel antiangiogenic compound that is constituent of plant saffron. Inhibitory effect of saffron on cell reproduction, cytotoxicity and anti-angiogenic effect presents saffron as efficient candidate in cancer chemotherapy.

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