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Virtual Screening of Cytokine Inhibitors


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  • Product Description

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.

Product Specifications
SKU :COC87597
AuthorSauleha Khan and Najmul Hasan
Number of Pages80
Publishing Year2013-03-22T00:00:00.000
Edition1 st
Book TypeChemistry
Country of ManufactureIndia
Product BrandLAP LAMBERT Academic Publishing
Product Packaging InfoBox
In The Box1 Piece
Product First Available On ClickOnCare.com2015-10-08 00:00:00
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