File:Current-model-of-TXNDC5-interactions-with-different-compounds.jpg
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English: Current model of TXNDC5 interactions with different compounds. Panels ( A ) and ( B ) represent different angles of the docking assay using protein structure from Protein Data Bank [ 24 ]. First, many binding modes were generated by local and blind docking on the surface and in the cavities of the protein. Then, CHARMM (Chemistry at Harvard Macromolecules Mechanics) energies were estimated and most favorable energies were evaluated with FACTS (Fast Analytical Continuum Treatment of Solvation), clustered and visualized. Images show molecular coupling between TXNDC5 protein and the compounds cyclosporine A (blue), diazoside (red) and paracetamol (green). The interaction is mainly established within two domains of the protein involved in the action and its regulation [ 59 , 60 ]. |
| Date | |
| Source | Elena Horna-Terrón, Alberto Pradilla-Dieste, Cristina Sánchez-de-Diego, Jesús Osada. "TXNDC5, a Newly Discovered Disulfide Isomerase with a Key Role in Cell Physiology and Pathology ," International Journal of Molecular Sciences doi:10.3390/ijms151223501 |
| Author | Elena Horna-Terrón, Alberto Pradilla-Dieste, Cristina Sánchez-de-Diego, Jesús Osada |
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This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution license ( https://creativecommons.org/licenses/by/4.0/ ). |
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| Date/Time | Thumbnail | Dimensions | User | Comment | |
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| current | 16:13, 11 January 2018 | | 790 × 428 (78 KB) | Sohmen (talk | contribs) | Transferred from https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4284777/bin/ijms-15-23501-g003.jpg |
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