The docking prediction of baicalin and BMP receptor using SwissDock

VernacularTitle:运用SwissDock预测黄芩素与BMP受体蛋白的对接构象
Author: Shuangjie TANG ; Li RAO ; Jun CHEN ; Li LU
Keywords: SwissDock; protein-small molecule docking prediction; baicalin; BMPRII
From: Chinese Journal of Biochemical Pharmaceutics 2017;37(3):34-36
CountryChina
Language:Chinese
Abstract: Objective To introduce the application of SwissDock in prediction of protein and small molecule docking , and provide reference for usage of SwissDock.Methods Chooseing baicalin (small molecule) and BMPRII (target protein) as study objects, operation processes of SwissDock system were described in detail and results were analyzed.Results The prediction result of SwissDock systew demonstrates that ASN338 is found as the binding site of docking, and the distance between ASN338 and baicalin is 3.5?and G=-13.17 kcal/mol.Conclusion SwissDock can help usersto submit dockings and retrieve predicted complexes.The system including simple operation interface and good human-computer interaction, it will be a powerful tool for researches of molecular recognition on the atomic scale .