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In silico screening of new potential TCR/CollagenII-MHCII inhibitors against rheumatoid arthritis
EP20646
Poster Title: In silico screening of new potential TCR/CollagenII-MHCII inhibitors against rheumatoid arthritis
Submitted on 20 Dec 2013
Author(s): Davide Pirolli, Francesco Ria, Bruno Giardina and Maria Cristina De Rosa
Affiliations: National Research Council (CNR) and Catholic University of Rome
Poster Views: 1,752
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Poster Information
Abstract: Residues 261-273 of type II collagen bound to the MHC class II allele HLA-DR4 play a crucial role in rheumatoid arthritis. The protein–protein interactions between TCR and CII-MHCII complex may therefore serve as targets for the development of new drugs against RA. The aim of this study is to develop a pharmacophore virtual screening followed by molecular docking and dynamics calculations leading to the identification of new TCR/CII-MHCII inhibitors.Summary: Residues 261-273 of type II collagen bound to the MHC class II allele HLA-DR4 play a crucial role in rheumatoid arthritis. The protein–protein interactions between TCR and CII-MHCII complex may therefore serve as targets for the development of new drugs against RA. The aim of this study is to develop a pharmacophore virtual screening followed by molecular docking and dynamics calculations leading to the identification of new TCR/CII-MHCII inhibitors.
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