An integrated virtual screening protocol by combining molecular docking and pharmacophore mapping was established to identify novel inhibitors of JAK2 from a commercial compound database. Twelve novel and structurally diverse hits were selected and subjected to in vitro biological tests, and three compounds (A5, A6 and A9) with remarkable JAK2 inhibitory activity were identified. Then, the obtained structures were further used as the template for a subsequent similarity search, leading to the identification of another two promising compounds (B2 and B4). Selectivity profiles of JAK subtype and in vitro anti-cancer activity of the promising compounds were studied, revealing the promising compound B2 was of interest for further study because of its JAK2 selective profile, novelty of skeleton and significantly anti-proliferative effect against cancer cells. Finally, binding patterns of the compounds A5 and B2 were explored to provide a deeper insight for further structural optimization.
Dynamic fault tree (DFT) is an extended technology of Fault tree analysis (FTA). It has been widely used in many fields and plays an important role in improving the security performance of the system. Although DFT has developed for many years, new research in recent years is still worthy of attention. In this study, the research status of different realization methods/analysis techniques of DFT is comprehensively reviewed. First, the development and research trend of DFT are described. Second, the research on dynamic gates and components in the analysis techniques is introduced in detail. Third, the mainstream realization methods of DFT, such as Markov chain, Bayesian network (BN) and so on, are summarized. At the same time, the application of other auxiliary analysis techniques is also introduced. Then, based on the research progress of different realization methods, the future development direction and challenges of DFT are prospected. The realization methods of DFT not only need the rigorous theoretical foundation. Moreover, it is also necessary to consider the combination of real‐time data and system modeling technology to realize dynamic assessment and smart system in the future.
Carbon capture and storage (CCS) technology is considered to be one of the key technologies to reduce CO2 emissions. This paper reviews the industry corrosion accidents of CCS transportation system, in which the pipeline corrosion risk is analyzed, and the pipeline corrosion theory is summarized. Also, the effect of impurities on gas phase properties is discussed. We analyze the corrosion mechanism of multicomponent impurities on metals in a supercritical CO2 environment from the aspects of corrosion rate and corrosion products. We also describe the mechanism of pitting and stress corrosion of metals in a supercritical CO2 environment. Besides, the formation mechanism of FeCO3 protective layer and the research status of corrosion resistant alloys in supercritical CO2 are reviewed and analyzed. Finally, a series of shortcomings and prospects of the current research are put forward.
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