PDF
Full
Outline
Based on the known interaction between OPC-167832 and the DprE1 protein, this study aims to establish an evaluation method for the antituberculosis drug activity targeting the key metabolic enzyme DprE1 of Mycobacterium tuberculosis.
First, the DprE1 protein was expressed using the pET28a-Rv3790 vector, and the molecular chaperone CPN60.2 of Mycobacterium tuberculosis was expressed using the pGro7-Rv0440 vector. Both vectors were co-transformed into E. coli BL21 for DprE1 protein expression. The target protein was purified via Ni-NTA affinity chromatography and identified using LC-MS mass spectrometry. Secondly, the direct interaction between the DprE1-targeting inhibitor and DprE1 was assessed using isothermal titration calorimetry (ITC). Finally, computational simulation techniques were employed to dock OPC-167832 with the DprE1 protein.
The pET28a-Rv3790 and pGro7-Rv0440 expression vectors were successfully constructed, leading to the expression and purification of soluble DprE1 protein. ITC results indicated a significant heat change upon the binding of DprE1 to OPC-167832. Molecular docking results revealed that the hydrogen bond binding site of OPC-167832 with DprE1 was primarily located at Pro316, while the binding sites for the fluorinated hydrogen bond were His132 and Asn364.
The soluble DprE1 protein was successfully expressed, and its interaction with OPC-167832 resulted in a measurable heat change. This confirms the successful establishment of an evaluation method for the antituberculosis drug activity targeting the key metabolic enzyme DprE1 of Mycobacterium tuberculosis. This study provides an experimental basis and methodological support for the activity evaluation of DprE1-targeting inhibitors against Mycobacterium tuberculosis.
PDF
56
28
| 科 Family | 属数 Number of genus | 种数 Number of species | 占总种数比例 Percentage of total species (%) | 属 Genus | 种数 Number of species | 占总种数比例 Percentage of total species (%) |
|---|---|---|---|---|---|---|
| 鹅膏菌科Amanitaceae | 2 | 11 | 5.26 | 鹅膏菌属 Amanita | 10 | 4.78 |
| 小菇科 Mycenaceae | 2 | 12 | 5.74 | 丝盖伞属 Inocybe | 5 | 2.39 |
| 多孔菌科 Polyporaceae | 8 | 14 | 6.70 | 蜡蘑属 Laccaria | 5 | 2.39 |
| 红菇科 Russulaceae | 3 | 23 | 11.00 | 小皮伞属 Marasmius | 6 | 2.87 |
| 小菇属 Mycena | 11 | 5.26 | ||||
| 光柄菇属 Pluteus | 5 | 2.39 | ||||
| 红菇属 Russula | 17 | 8.13 | ||||
| 栓菌属 Trametes | 5 | 2.39 |
关闭全屏
No. 86 Xueyuan South Road, Haidian District, Beijing
010-62199257
qkjq@cast.org.cn
Copyright © 2025 China Association for Science and Technology. All rights reserved. For all open access content, the relevant licensing terms apply.
Sponsored by the Office of the Leading Group for Cybersecurity and Informatization of CAST, and supported by Science and Technology Review Publishing House
