Synopsis
Activated T-cells are thought to play a key role in the pathophysiology by stimulating inflammation and IL-2 plays a central role in this process of T-cell activation. IL-2 has become an important drug target as it is the most powerful growth factor and activator of T cells, also known as “T cell growth factor (TCGF)”, thus IL-2 inhibitors have proved useful in symptomatic treatment of autoimmune diseases like Arthritis, Psoriasis and Crohn’s disease. To establish an effective docking protocol for virtual screening of IL-2, a comparative molecular docking study was performed. For this purpose three docking/scoring approaches (MOE, GOLD and FRED) were compared to determine their ability to reproduce the binding poses in three complexes of IL-2. Docking accuracy was evaluated by calculating the RMSD of the docked complexes. FRED was found to be the best in reproducing the experimental pose and placing it near the top of its ranking. The performance of scoring functions was evaluated in identification of known actives out of large database of inactive compounds.
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About the Author
Sauleha Khan is a veteran analytical Chemist worked in several eminent pharmaceutical industries of Pakistan. She is expert of various analytical techniques and author of several research articles published in world renowned peer reviewed scientific journals. Najmul Hasan is a seasoned microbiologist/chemist & author of many articles in both fields
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Virtual Screening of Cytokine Inhibitors
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LAP LAMBERT Academic Publishing Mrz 2013, 2013
ISBN 10: 3659362921
ISBN 13: 9783659362927
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Taschenbuch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -Activated T-cells are thought to play a key role in the pathophysiology by stimulating inflammation and IL-2 plays a central role in this process of T-cell activation. IL-2 has become an important drug target as it is the most powerful growth factor and activator of T cells, also known as ¿T cell growth factor (TCGF)¿, thus IL-2 inhibitors have proved useful in symptomatic treatment of autoimmune diseases like Arthritis, Psoriasis and Crohn¿s disease. To establish an effective docking protocol for virtual screening of IL-2, a comparative molecular docking study was performed. For this purpose three docking/scoring approaches (MOE, GOLD and FRED) were compared to determine their ability to reproduce the binding poses in three complexes of IL-2. Docking accuracy was evaluated by calculating the RMSD of the docked complexes. FRED was found to be the best in reproducing the experimental pose and placing it near the top of its ranking. The performance of scoring functions was evaluated in identification of known actives out of large database of inactive compounds. 80 pp. Englisch. Seller Inventory # 9783659362927
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Virtual Screening of Cytokine Inhibitors
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Condition: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Autor/Autorin: Khan SaulehaSauleha Khan is a veteran analytical Chemist worked in several eminent pharmaceutical industries of Pakistan. She is expert of various analytical techniques and author of several research articles published in world renow. Seller Inventory # 5151190
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Virtual Screening of Cytokine Inhibitors
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ISBN 10: 3659362921
ISBN 13: 9783659362927
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Taschenbuch. Condition: Neu. This item is printed on demand - Print on Demand Titel. Neuware -Activated T-cells are thought to play a key role in the pathophysiology by stimulating inflammation and IL-2 plays a central role in this process of T-cell activation. IL-2 has become an important drug target as it is the most powerful growth factor and activator of T cells, also known as 'T cell growth factor (TCGF)', thus IL-2 inhibitors have proved useful in symptomatic treatment of autoimmune diseases like Arthritis, Psoriasis and Crohn's disease. To establish an effective docking protocol for virtual screening of IL-2, a comparative molecular docking study was performed. For this purpose three docking/scoring approaches (MOE, GOLD and FRED) were compared to determine their ability to reproduce the binding poses in three complexes of IL-2. Docking accuracy was evaluated by calculating the RMSD of the docked complexes. FRED was found to be the best in reproducing the experimental pose and placing it near the top of its ranking. The performance of scoring functions was evaluated in identification of known actives out of large database of inactive compounds.VDM Verlag, Dudweiler Landstraße 99, 66123 Saarbrücken 80 pp. Englisch. Seller Inventory # 9783659362927
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Virtual Screening of Cytokine Inhibitors : Application of Docking & Pharmacophore Models
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Taschenbuch. Condition: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - Activated T-cells are thought to play a key role in the pathophysiology by stimulating inflammation and IL-2 plays a central role in this process of T-cell activation. IL-2 has become an important drug target as it is the most powerful growth factor and activator of T cells, also known as ¿T cell growth factor (TCGF)¿, thus IL-2 inhibitors have proved useful in symptomatic treatment of autoimmune diseases like Arthritis, Psoriasis and Crohn¿s disease. To establish an effective docking protocol for virtual screening of IL-2, a comparative molecular docking study was performed. For this purpose three docking/scoring approaches (MOE, GOLD and FRED) were compared to determine their ability to reproduce the binding poses in three complexes of IL-2. Docking accuracy was evaluated by calculating the RMSD of the docked complexes. FRED was found to be the best in reproducing the experimental pose and placing it near the top of its ranking. The performance of scoring functions was evaluated in identification of known actives out of large database of inactive compounds. Seller Inventory # 9783659362927
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Virtual Screening of Cytokine Inhibitors | Application of Docking & Pharmacophore Models
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Taschenbuch. Condition: Neu. Virtual Screening of Cytokine Inhibitors | Application of Docking & Pharmacophore Models | Sauleha Khan (u. a.) | Taschenbuch | 80 S. | Englisch | 2013 | LAP LAMBERT Academic Publishing | EAN 9783659362927 | Verantwortliche Person für die EU: preigu GmbH & Co. KG, Lengericher Landstr. 19, 49078 Osnabrück, mail[at]preigu[dot]de | Anbieter: preigu. Seller Inventory # 106003413
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Virtual Screening of Cytokine Inhibitors: Application of Docking & Pharmacophore Models
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