Identification of the structural features of quinazoline derivatives as EGFR inhibitors using 3D-QSAR modeling, molecular docking, molecular dynamics simulations and free energy calculationsFangfang Wang, Wei Yang, Hongping Liu & Bo Zhou
Epidermal growth factor receptor (EGFR) is a promising target for the treatment of different types of malignant tumors. Therefore, a combined molecular modeling study was performed on a series of quinazoline derivatives as EGFR inhibitors. The optimum ligand-based CoMFA and CoMSIA models showed reliable and satisfactory predictability (with R2cv=0.681, R2ncv=0.844, R2pred=0.8702 and R2cv=0.643, R2ncv=0.874, R2pred=0.6423). The derived contour maps provide structural features to improve inhibitory activity. Furthermore, the contour maps, molecular docking, and molecular dynamics...
Long non-coding RNA LOC107985656 represses the proliferation of hepatocellular carcinoma cells through activation of the tumor-suppressive Hippo pathwayYu Zeng, Qin Xu & Nan Xu
Long non-coding RNAs (lncRNAs) play important regulatory roles in hepatocellular carcinoma (HCC). However, the function of LOC107985656 in HCC progression remains unclear. The lncRNA, mRNA and miRNA levels in HCC tissues or cells were measured using real-time quantitative polymerase chain reaction (RT-qPCR). The proliferation of cancer cells was evaluated using 3-(4, 5-dimethyl-2-thiazolyl)-2,5-diphenyl-2-H-tetrazolium bromide (MTT) viability and colony formation assays. Bioinformatics prediction, dual luciferase assay and RNA pull-down assay were performed to analyze the relationships between...
Circular RNA circVRK1 suppresses the proliferation, migration and invasion of osteosarcoma cells by regulating zinc finger protein ZNF652 expression via microRNA miR-337-3pCheng Cheng, Haoping Zhang, Zhipeng Dai & Jia Zheng
Circular RNA is an innovative kind of endogenous non-coding RNA, which could take part in tumorigenesis. Nonetheless, the potential molecular mechanisms of circVRK1 in the progression of osteosarcoma remain unresolved. In the current study, we initially investigated circVRK1 levels in osteosarcoma clinical samples and cell lines by qRT-PCR analysis and northern blot assay. RNase R treatments, RNA stability assay and nucleoplasmic separation assay were conducted to identify the characteristics of circVRK1. We adopted CCK-8, colony...
Dendrobine-type alkaloids from Dendrobium nobileMao-Sheng Zhang, Lang Linghu, Gang Wang, Yu-Qi He, Cheng-Xin Sun & Shi-Ji Xiao
Six dendrobine-type alkaloids were isolated from the tubes of Dendrobium nobile by silica gel, Sephadex LH-20 gel column chromatography, and preparative HPLC. Compound 1 is a new alkaloid containing a pair of amide tautomers, whereas compound 2 is a new dendrobine-type alkaloid. By using spectroscopic techniques including 1 D and 2 D NMR, the structures of compounds 1‒6 were identified as N-methoxylcarbonyldendrobine (1), dendronboic acid (2), dendrobine (3), 6-hydroxyldendrobine (4), dendrobine N-oxide (5), and denrine...
Ubiquilin 1 suppresses the cancer stem cell–like traits of non-small cell lung cancer cells by regulating reactive oxygen species homeostasisTing Liu, Qianqian Ma, Wenjie Li, Yan Hu, Jun Yang & Qi Yao
Cancer stem cell (CSC) has been confirmed to trigger tumor occurrence and progression and CSC can develop strategies to maintain a lower reactive oxygen species (ROS) level compared to cancer cells. However, the mechanisms contributing to ROS homeostasis in CSC are still lacking key elements. In the current study, we found that reductive redox states and ROS levels were suppressed in non-adherent spheres formed by non-small cell lung cancer (NSCLC) cells, which were confirmed to...
Study on longitudinal dynamics of heavy haul trains running on long and steep downhillsWentao Liu, Shuai Su, Tao Tang & Yuan Cao
This paper investigates the longitudinal dynamics performance of the combined heavy haul trains, especially for the cyclic air braking strategy on the long and steep downhill segments. Firstly, the mathematical models for calculating the longitudinal forces in the longitudinal train dynamics simulations are formulated. The brake delay time between neighbouring cars and the pressure variation of the brake cylinders in the braking and releasing processes are considered in the air braking force model. Besides, the...
Physical properties of deep eutectic solvents based on p-toluene sulfonic acid and employment as catalystShan Jiang, Zuoxiang Zeng, Weilan Xue, Zhijie Mao & Ying Wang
This work studied the physical properties of three deep eutectic solvents (DESs) and their catalytic activity in the esterification of palmitic acid and ethanol. Three types of deep eutectic solvents (DESs) were successfully prepared using p-toluene sulfonic acid monohydrate (PTSA) as hydrogen bond donor (HBD) with dodecyl trimethyl ammonium chloride (DTAC), tetradecyl trimethyl ammonium chloride (TTAC) and octadecyl trimethyl ammonium chloride (OTAC) as hydrogen bond acceptor (HBA). The freezing points of DESs were measured in...
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Shanghai Jiao Tong University80
Chinese Academy of Medical Sciences & Peking Union Medical College79
Capital Medical University74
Chinese Academy of Sciences65
Huazhong University of Science and Technology57