In order to search for new antiplatelet agents with higher potency, a series of tetramethylpyrazine ( TMP) /chalcone hybrids ( 2-26) were synthesized and evaluated based on the principle of bioisostere and hybrid-ization. They exerted inhibitory activity against adenosine diphosphate ( ADP )-induced and arachidonic acid ( AA)-induced platelet aggregation to varied extent. Among them, compound 8 was the most potent with IC50 of 0. 14 mmol/L on ADP-induced platelet aggregation ( 9. 1 folds of TMP and 10. 5 folds of chalcone ) and 0. 09 mmol/L on AA-induced platelet aggregation ( 8. 8 folds of TMP and 10. 0 folds of chalcone) , which was superior to clinically used anti-platelet drug aspirin ( ASP, IC50 =0. 15 mmol/L) .

Objective: To explore the risk of incidence of catheter-related thrombosis in cancer patients receiving chemotherapy using nomogran. Methods: We retrospectively evaluated 286 patients with malignant tumor who needed PICC insertion at the First Affiliated Hospital of Xi'an Jiaotong University between December 2014 and December 2015. Potential risk factors were included in the least absolute shrinkage and selection operator (LASSO) regression analysis to finally build a nomogram to predict the risk of PICC-related thrombosis. Results: A total of 286 patients who needed PICC insertion were analyzed, among whom 72 experienced PICC- related thrombosis. Twenty-seven potential thrombosis-related risk factors were included in the LASSO regression analysis. The results indicated that the use of ultrasound guidance during insertion, previous chemotherapy, other catheter-related complications, and plasma Ddimer were the risk factors of PICC related thrombosis. Thus, these four risk factors were applied to the nomogram model. Further,the nomogram prediction model yielded a C-index of 0.688 and the adjusted fitting curve was located in the error range of 10%. Conclusions:Combined with puncture technology, previous chemotherapy history, complications, and D-dimer level constituted the nomogram prediction model for PICC-related thrombosis which had a good accuracy.

【Objective】 To investigate the potential genes and pathways associated with esophageal adenocarcinoma through microarray expression profiling data analysis and bioinformatics approaches. 【Methods】 The mRNA expression microarray data related to esophageal adenocarcinoma development were screened out with GEO database, and the biological processes, signaling pathways and network of these genes were statistically analyzed using "R" software. 【Results】 The GSE26886 was obtained from GEO database. A total of 1383 differentially expressed genes were associated with carcinogenesis of esophageal adenocarcinoma, including 607 up-regulated and 776 down-regulated genes. These genes were involved in metabolism, stimulate responses, cell adhesion, cell regeneration and immune biological processes. Eight significantly enriched pathways were identified by pathway analysis. 【Conclusion】 The bioinformatic method can analyze the gene chip data effectively. Multiple genes and signaling pathways are involved in the carcinogenesis of esophageal adenocarcinoma, which provides a new idea or approach for exploring biomarkers of early screening and therapeutic targets.

OBJECTIVE: To select potential molecules that can target viral spike proteins, which may potentially interrupt the interaction between the human angiotension-converting enzyme 2 (ACE2) receptor and viral spike protein by virtual screening. METHODS: The three-dimensional (3D)-coordinate file of the receptor-binding domain (RBD)-ACE2 complex for searching a suitable docking pocket was firstly downloaded and prepared. Secondly, approximately 15,000 molecular candidates were prepared, including US Food and Drug Administration (FDA)-approved drugs from DrugBank and natural compounds from Traditional Chinese Medicine Systems Pharmacology (TCMSP), for the docking process. Then, virtual screening was performed and the binding energy in Autodock Vina was calculated. Finally, the top 20 molecules with high binding energy and their Chinese medicine (CM) herb sources were listed in this paper. RESULTS: It was found that digitoxin, a cardiac glycoside in DrugBank and bisindigotin in TCMSP had the highest docking scores. Interestingly, two of the CM herbs containing the natural compounds that had relatively high binding scores, Forsythiae fructus and Isatidis radix, are components of Lianhua Qingwen (), a CM formula reportedly exerting activity against severe acute respiratory syndrome (SARS)-Cov-2. Moreover, raltegravir, an HIV integrase inhibitor, was found to have a relatively high binding score. CONCLUSIONS A class of compounds, which are from FDA-approved drugs and CM natural compounds, that had high binding energy with RBD of the viral spike protein. Our work provides potential candidates for other researchers to identify inhibitors to prevent SARS-CoV-2 infection, and highlights the importance of CM and integrative application of CM and Western medicine on treating COVID-19.
China ; Computer Simulation ; Coronavirus Infections ; diagnosis ; drug therapy ; Drug Repositioning ; methods ; Drugs, Chinese Herbal ; pharmacology ; Glycoproteins ; drug effects ; metabolism ; Humans ; Imaging, Three-Dimensional ; Mass Screening ; methods ; Molecular Docking Simulation ; methods ; Pandemics ; Peptidyl-Dipeptidase A ; drug effects ; Pneumonia, Viral ; diagnosis ; drug therapy ; Protein Binding ; United States ; United States Food and Drug Administration