Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods, Acta Pharmaceutica Sinica B, https://doi. Graphical abstractTwenty structures including 19 SARS-CoV-2 targets and 1 human target were built by homology modeling. Library of ZINC drug database, natural products, 78 anti-viral drugs were screened against these targets plus human ACE2. This study provides drug repositioning candidates and targets for further in vitro and in vivo studies of SARS-CoV-2. (Mengzhu Zheng), xingzhouli@aliyun.com (Xingzhou Li). † These authors made equal contributions to this work.Abstract SARS-CoV-2 has caused tens of thousands of infections and more than one thousand deaths. There are currently no registered therapies for treating coronavirus infections. Because of time consuming process of new drug development, drug repositioning may be the only solution to the epidemic of sudden infectious diseases. We systematically analyzed all the proteins encoded by SARS-CoV-2 genes, compared them with proteins from other coronaviruses, predicted their structures, and built 19 structures that could be done by homology modeling. By performing target-based virtual ligand screening, a total of 21 targets (including two human targets) were screened against compound libraries including ZINC drug database and our own database of natural products. Structure and screening results of important targets such as 3-chymotrypsin-like protease (3CLpro), Spike, RNA-dependent RNA polymerase (RdRp), and papain like protease (PLpro) were discussed in detail. In addition, a database of 78 commonly used anti-viral drugs including those currently on the market and undergoing clinical trials for SARS-CoV-2 was constructed. Possible targets of these compounds and potential drugs acting on a certain target were predicted. This study will provide new lead compounds and targets for further in vitro and in vivo studies of SARS-CoV-2, new insights for those drugs currently ongoing clinical studies, and also possible new strategies for drug repositioning to treat SARS-CoV-2 infections.

The Coronavirus Disease 2019 pandemic has led to a major shortage of N95 respirators, which are essential to protecting healthcare professionals and the general public who may come into contact with the virus. Thus, it is essential to determine how we can reuse respirators and other personal protection in these urgent times. We investigated multiple commonly used and easily deployable, scalable disinfection schemes on media with particle filtration efficiency of 95%. Among these, heating (≤85 °C) under various humidities (≤100% RH) was the most promising, nondestructive method for the preservation of filtration properties in meltblown fabrics as well as N95-grade respirators. Heating can be applied up to 50 cycles (85 °C, 30% RH) without observation in the degradation of meltblown filtration performance. Ultraviolet (UV) irradiation was a secondary choice which was able to withstand 10 cycles of treatment and showed small degradation by 20 cycles. However, UV can also potentially impact the material strength and fit of respirators. Finally, treatments involving liquids and vapors require caution, as steam, alcohol, and household bleach may all lead to degradation of the filtration efficiency, leaving the user vulnerable to the viral aerosols.

The single crystal growth of Mg3Bi2‐based thermoelectric materials is of great significance for their applications near room temperature. So far, it is still a big challenge to grow such bulk single crystals and attempts are primarily focused on the metal flux methods. For the first time, bulk single crystals of n‐type Mg3Bi1.49Sb0.5Te0.01 are directly grown by applying an In‐situ Loading Bridgman method. The as‐grown single crystal features an excellent carrier mobility of 220 cm2 V−1 s−1, which is among the best compared to other Mg3Bi2‐based bulk materials. Besides, this method is successfully developed to fast grow uniform polycrystalline materials with high thermoelectric and mechanic performance. As demonstrated by the single‐leg device, a large temperature difference of 10.5 K is achieved at the supplied electric current of 0.6 A, much superior to other room temperature state‐of‐the‐art thermoelectric materials. With the single crystalline and polycrystalline materials prepared reliably and conveniently, in‐depth investigations on the Mg3Bi2 thermoelectric system can be greatly benefited, which should as well significantly facilitate their practical applications at room temperature.

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Compared with inhabitants aged 15-64 years, doctors and nurses have relatively poor health in usual activities, self-reporting pain/discomfort, and anxiety/depression.