|
|
|
题名
|
作者
|
年代
|
出处
|
被引量
|
| 1 | Nature brings new avenues to the therapy of central nervous system diseases——an overview of possible treatments derived from natural products显示文摘Natural products(NPs), including traditional Chinese medicine(TCM), have been long and widely used in the prevention and treatment of central nervous system(CNS) diseases by virtue of their abundant sources, diverse structures, and novel activities.In this review article, we intend to summarize and discuss the situation or status of the clinical employments or trials of the NPs and their derivatives with CNS activities. NPs that have been extensively studied in preclinical research in recent years are also included. The compounds presented in this review are classified according to their indications and followed by details such as natural sources, possible biological mechanisms, and development status, while a considerable proportion of them are found in TCM. In addition, some drug combinations with synergistic effects are also mentioned. According to their impressive therapeutic effects and novel chemical structures, NPs are not only effective therapeutic remedies in clinic, but also lead compounds for structural modification, which indicate that nature brings new avenues to the therapy of CNS diseases. | Junchi Zhang Yang He Xiangrui Jiang Hualiang Jiang Jingshan Shen | 2019 | Science China(Life Sciences)2019，62，10： | 30 |
| 2 | Design and development of an oral remdesivir derivative W116 against SARS-CoV-2显示文摘Dear Editor,Since the declaration of COVID-19 as a global pandemic on March 11,2020,this pandemic has been circulating for 17 months throughout the world,leading to more than 200 million infections and nearly 4.4 million deaths as of August 15,2021.The pathogen of COVID-19 is a novel coronavirus named SARS-CoV-2,which shares-79%genome sequence identity with SARS-CoV.1 At the early stage of the COVID-19 outbreak,5ARS-CoV-2 caused great panic in the hardest-hit areas due to its high transmissibility and pathogenicity.To fight the COVID-19 crisis,drug repurposing was immediately pursued in order to find potential therapeutics. | Yuanchao Xie Wanchao Yin Yumin Zhang Weijuan Shang Zhen Wang Xiaodong Luan Guanghui Tian Haji A.Aisa Yechun Xu Gengfu Xiao Jia Li Hualiang Jiang Shuyang Zhanq Leike Zhang H.Eric Xu Jingshan Shen | 2021 | Cell Research2021，31，11： | 12 |
| 3 | Artificial intelligence in drug design显示文摘Thanks to the fast improvement of the computing power and the rapid development of the computational chemistry and biology,the computer-aided drug design techniques have been successfully applied in almost every stage of the drug discovery and development pipeline to speed up the process of research and reduce the cost and risk related to preclinical and clinical trials.Owing to the development of machine learning theory and the accumulation of pharmacological data, the artificial intelligence(AI) technology, as a powerful data mining tool, has cut a figure in various fields of the drug design, such as virtual screening,activity scoring, quantitative structure-activity relationship(QSAR) analysis, de novo drug design, and in silico evaluation of absorption, distribution, metabolism, excretion and toxicity(ADME/T) properties. Although it is still challenging to provide a physical explanation of the AI-based models, it indeed has been acting as a great power to help manipulating the drug discovery through the versatile frameworks. Recently, due to the strong generalization ability and powerful feature extraction capability,deep learning methods have been employed in predicting the molecular properties as well as generating the desired molecules,which will further promote the application of AI technologies in the field of drug design. | Feisheng Zhong Jing Xing Xutong Li Xiaohong Liu Zunyun Fu Zhaoping Xiong Dong Lu Xiaolong Wu Jihui Zhao Xiaoqin Tan Fei Li Xiaomin Luo Zhaojun Li Kaixian Chen Mingyue Zheng Hualiang Jiang | 2018 | Science China(Life Sciences)2018，61，10： | 10 |
| 4 | The gating charge pathway of an epilepsy-associated potassium channel accommodates chemical ligands显示文摘电压门钾(Kv ) 隧道在电压传感器领域(VSD ) 从 gating 费用的运动导出他们的电压敏感。gating 在 VSD 通过一条物理小径控告 translocate 打开或关门隧道。以前的研究证明 gating 控告 Shaker 的小径, Kv1.2-2.1 妄想的隧道被堵塞,形成集中的电场和 gating 费用转移中心的结构的基础。这里,我们证明 gating 控告电压门 KCNQ2 钾隧道的小径,哪个引起癫痫的活动减小,能提供各种各样的小分子 ligands。记录的联合 mutagenesis,分子的模拟和 electrophysiological,为探查使活跃之物的一个有约束力的模型, ztz240,在 gating 费用,小径被定义。这个信息被用来建立指向定义 ligand 有约束力的衣袋的基于船坞的虚拟屏蔽试金。有五新 chemotypes 的九使活跃之物被识别,并且在 vivo,实验显示出那三 ligands 绑定到 gating 费用小径展览重要反癫痫活动。由指向衣袋的虚拟屏蔽的各种各样的新奇使活跃之物的鉴定在 gating 费用小径支持一个 ligand 有约束力的地点的存在。gating 费用小径的能力提供新卓见提供小分子 ligands 进治疗学地相关的 KCNQ2 隧道的 gating 费用小径。 | Ping Li Zhuxi Chen Haiyan Xu Haifeng Sun Hao Li Hong Liu Huaiyu Yang Zhaobing Gao Hualiang Jiang Min Li | 2013 | Cell Research2013，23，9： | 8 |
| 5 | Computational drug discovery显示文摘计算的药发现是为加速和节俭的药发现和发展过程的有效策略。因为生物大分子和小分子信息的可获得性的戏剧的增加,计算的药发现的适用性被扩大了并且广泛地适用于将近在药发现和发展工作流的每个阶段包括目标鉴定和确认,带发现和优化和现出症状之前的潜的测试。极大地在过去的十年,象分子的停靠那样的计算的药发现方法,当模特儿并且印射的 pharmacophore, de novo 设计,分子的类似计算并且基于顺序的虚拟屏蔽被改进了。在这评论,我们在场这域里的这些重要计算方法,平台和成功的应用程序的概述。 | Si-sheng OU-YANG Jun-yan LU Xiang-qian KONG Zhong-jie LIANG Cheng LUO Hualiang JIANG | 2012 | Acta Pharmacologica Sinica2012，33，9： | 7 |
| 6 | SARS-CoV-2 envelope protein causes acute respiratory distress syndrome (ARDS)-like pathological damages and constitutes an antiviral target显示文摘Cytokine storm and multi-organ failure are the main causes of SARS-CoV-2-related death.However,the origin of excessive damages caused by SARS-CoV-2 remains largely unknown.Here we show that the SARS-CoV-2 envelope(2-E)protein alone is able to cause acute respiratory distress syndrome(ARDS)-like damages in vitro and in vivo. | Bingqing Xia Xurui Shen Yang He Xiaoyan Pan Feng-Liang Liu Yi Wang Feipu Yang Sui Fang Yan Wu Zilei Duan Xiaoli Zuo Zhuqing Xie Xiangrui Jiang Ling Xu Hao Chi Shuangqu Li Qian Meng Hu Zhou Yubo Zhou Xi Cheng Xiaoming Xin Lin Jin Hai-Lin Zhang Dan-Dan Yu Ming-Hua Li Xiao-Li Feng Jiekai Chen Hualiang Jiang Gengfu Xiao Yong-Tang Zheng Lei-Ke Zhang Jingshan Shen Jia Li Zhaobing Gao | 2021 | Cell Research2021，31，8： | 7 |
| 7 | Low dose of hydroxychloroquine reduces fatality of critically ill patients with COVID-19显示文摘Coronavirus disease 2019(COVID-19)is a pandemic with no specific drugs and high fatality.The most urgent need is to find effective treatments.We sought to determine whether hydroxychloroquine(HCQ)application may reduce the death risk of critically ill COVID-19 patients.In this retrospective study,we included 550 critically ill COVID-19 patients who need mechanical ventilation in Tongji Hospital,Wuhan,from February 1,2020 to April 4,2020.All 550 patients received comparable basic treatments including antiviral drugs and antibiotics,and 48 of them were treated with oral HCQ treatment(200 mg twice a day for 7–10 days)in addition to the basic treatments.Primary endpoint is fatality of patients,and inflammatory cytokine levels were compared between HCQ and non-hydroxychloroquine(NHCQ)treatments.We found that fatalities are 18.8%(9/48)in HCQ group,which is significantly lower than 47.4%(238/502)in the NHCQ group(P<0.001).The time of hospital stay before patient death is 15(10–21)days and 8(4–14)days for the HCQ and NHCQ groups,respectively(P<0.05).The levels of inflammatory cytokine IL-6 were significantly reduced from 22.2(8.3–118.9)pg mL–1 at the beginning of the treatment to 5.2(3.0–23.4)pg mL–1(P<0.05)at the end of the treatment in the HCQ group but there is no change in the NHCQ group.These data demonstrate that addition of HCQ on top of the basic treatments is highly effective in reducing the fatality of critically ill patients of COVID-19 through attenuation of inflammatory cytokine storm.Therefore,HCQ should be prescribed as a part of treatment for critically ill COVID-19 patients,with possible outcome of saving lives. | Bo Yu Chenze Li Peng Chen Ning Zhou Luyun Wang Jia Li Hualiang Jiang Dao-Wen Wang | 2020 | Science China(Life Sciences)2020，63，10： | 7 |
| 8 | Effects of Shuanghuanglian oral liquids on patients with COVID-19:a randomized,open-label,parallel-controlled,multicenter clinical trial显示文摘We conducted a randomized,open-label,parallel-controlled,multicenter trial on the use of Shuanghuanglian(SHL),a traditional Chinese patent medicine,in treating cases of COVID-19.A total of 176 patients received SHL by three doses(56 in low dose,61 in middle dose,and 59 in high dose)in addition to standard care.The control group was composed of 59 patients who received standard therapy alone.Treatment with SHL was not associated with a difference from standard care in the time to disease recovery.Patients with 14-day SHL treatment had significantly higher rate in negative conversion of SARS-CoV-2 in nucleic acid swab tests than the patients from the control group(93.4%vs.73.9%,P=0.006).Analysis of chest computed tomography images showed that treatment with high-dose SHL significantly promoted absorption of inflammatory focus of pneumonia,which was evaluated by density reduction of inflammatory focus from baseline,at day 7(mean difference(95%CI),−46.39(−86.83 to−5.94)HU;P=0.025)and day 14(mean difference(95%CI),−74.21(−133.35 to−15.08)HU;P=0.014).No serious adverse events occurred in the SHL groups.This study illustrated that SHL in combination with standard care was safe and partially effective for the treatment of COVID-19. | Li Ni Zheng Wen Xiaowen Hu Wei Tang Haisheng Wang Ling Zhou Lujin Wu Hong Wang Chang Xu Xizhen Xu Zhichao Xiao Zongzhe Li Chene Li Yujian Liu Jialin Duan Chen Chen Dan Li Runhua Zhang Jinliang Li Yongxiang Yi Wei Huang Yanyan Chen Jianping Zhao Jianping Zuo Jianping Weng Hualiang Jiang Dao Wen Wang | 2021 | Frontiers of Medicine2021，15，5： | 7 |
| 9 | Why are oseltamivir and zanamivir effective against the newly emerged influenza A virus (A/HIN1)?显示文摘 | Kunqian Yu Cheng Luo Guangrong Qin Zhijian Xu Ning Li Hong Liu Xu Shen Jianpeng Ma Qinghua Wang Caiguang Yang Weiliang Zhu Hualiang Jiang | 2009 | Cell Research2009，19，10： | 6 |
| 10 | Potential treatment of COVID-19 by inhibitors of human dihydroorotate dehydrogenase显示文摘The ongoing pandemic of severe acute respiratory syn・drome coronavirus 2(SARS・CoV・2),referred to as coronavirus disease 2019(COVID-19),has caused over 13 million infections and over 560,000 deaths worldwide(http://gffzz36b398b81f8a4a4csknkfo66b5q5b6qkn.ffgz.tsg.suse.edu.cn/emergencies/diseases/novel・coron avirus-2019/sit uation-reports),posing a significant threat to globally public health and economics.At present,no efficacious antiviral drugs and vaccines have been approved for the prophylaxis or treatment of COVID-19.Tremendous efforts have been made to develop drug and vaccine against SARS-CoV-2.The main protease(Mpro,also called 3CLpro)is an attractive drug target among coronaviruses,and several potent inhibitors of the SARS-CoV-23CLpro together with their crystal structures in complex with the protease have been reported(Dai et al.,2020;Jin et al.,2020;Zhang et al.,2020). | Yechun Xu Hualiang Jiang | 2020 | Protein & Cell2020，11，10： | 5 |
| 11 | High-resolution mapping of brain vasculature and its impairment in the hippocampus of Alzheimer’s disease mice显示文摘Accumulating evidence indicates the critical importance of cerebrovascular dysfunction in the pathogenesis of Alzheimer’s disease(AD).However,systematic comparative studies on the precise brain vasculature of wild-type and AD model mice are still rare.Using an image-optimization method for analysing Micro-Optical Sectioning Tomography(MOST)data,we generated cross-scale whole-brain 3 D atlases that cover the entire vascular system from large vessels down to smallest capillaries at submicron resolution,for both wild-type mice and a transgenic(APP/PS1)mouse model of AD.In addition to distinct vascular patterns in different brain regions,we found that the main vessels of the molecular layer of the hippocampal dentate gyrus(DG-ml)undergo abrupt changes in both diameter and branch angle,spreading a unique comb-like pattern of capillaries.By using a quantitative analysis workflow,we identified in the hippocampus of AD mice an overall reduction of the mean vascular diameter,volume fraction and branch angle,with most significant impairment in the DG-ml.In addition,virtual endoscopy revealed irregular morphological features in the vessel lumen of the AD mice,potentially contributing to the impairment of blood flow.Our results demonstrate the capability of high-resolution cross-scale evaluation of brain vasculature and underscore the importance of studying hippocampal microcirculation for understanding AD pathogenesis. | Xiaochuan Zhang Xianzhen Yin Jingjing Zhang Anan Li Hui Gong Qingming Luo Haiyan Zhang Zhaobing Gao Hualiang Jiang | 2019 | National Science Review2019，6，6： | 4 |
| 12 | Influence of earthquake input angle on seismic response of curved girder bridge显示文摘The maximum seismic response of curved bridge is significantly related to the input angle of designated earthquake. Owing to structure irregularities, bridge reactions result from the interaction between the moment and torsion forces. Based on the solving of the seismic response of structure excited by a one-way earthquake input, a uniform expression of the unfavorable angle of the earthquake input was derived, and the corresponding maximum response of structure was determined. Considering the orthotropic and skewed dualdirectional earthquake input manners, the most unfavorable angles for the two cases were also derived, respectively. Furthermore, a series finite element models were built to analyze the multi-component seismic responses by examining an example of curved girder bridge considering the variation of curvature radius and the bearings arrangement. The seismic responses of the case bridges, were excited by earthquakes at different input angles, and were calculated and analyzed using a response spectrum method. The input angles of earthquake excitation were progressively increased. From the analysis and comparison based on the calculation results mentioned above, the most unfavorable angle of earthquake excitation corresponding to the maximum seismic response of the curved bridge could be determined. It was shown that the most unfavorable angles of earthquake input resulted from the different response combination methods were essentially coherent. | Yongjun Ni Jiayu Chen Hualiang Teng Hui Jiang | 2015 | Journal of Traffic and Transportation Engineering(English Edition)2015，2，4： | 3 |
| 13 | Research progress in cation-π interactions显示文摘Cation-π interaction is a potent intermolecular interaction between a cation and an aromatic system,which has been viewed as a new kind of binding force,as being compared with the classical interactions(e.g. hydrogen bonding,electrostatic and hydrophobic interactions). Cation-π interactions have been observed in a wide range of biological contexts. In this paper,we present an overview of the typical cation-π interactions in biological systems,the experimental and theoretical investigations on cation-π interactions,as well as the research results on cation-π interactions in our group. | CHENG JiaGao LUO XiaoMin YAN XiuHua LI Zhong TANG Yun JIANG HuaLiang ZHU WeiLiang | 2008 | Science China Chemistry2008，51，8： | 3 |
| 14 | Beneficial effects exerted by hydroxychloroquine in treating COVID-19 patients via protecting multiple organs显示文摘Dear Editor.The coronavirus disease 2019(COVID-19)pandemic caused by widespread infection with the severe acute respiratory syndrome coronavirus 2(SARS-CoV-2)(Chen et al.,2020;Guan et al.,2020)has led to a global health crisis.More than 3.5 million infections and 246,838 deaths have occurred as of May 4,2020(Saqrane and El Mhammedi,2020),with a rapid upward trend.Many CO VID-19 patients suffer from complicated systemic injuries such as cardiac(Chen et al.,2020)and hepatic(Huang et al.,2020)damages. | Bo Yu Chenze Li Peng Chen Jia Li Hualiang Jiang Dao-Wen Wang | 2021 | Science China(Life Sciences)2021，64，2： | 2 |
| 15 | Applying high-performance computing in drug discovery and molecular simulation显示文摘In recent decades, high-performance computing(HPC) technologies and supercomputers in China have significantly advanced, resulting in remarkable achievements. Computational drug discovery and design,which is based on HPC and combines pharmaceutical chemistry and computational biology, has become a critical approach in drug research and development and is financially supported by the Chinese government. This approach has yielded a series of new algorithms in drug design, as well as new software and databases. This review mainly focuses on the application of HPC to the fields of drug discovery and molecular simulation at the Chinese Academy of Sciences, including virtual drug screening, molecular dynamics simulation, and protein folding. In addition, the potential future application of HPC in precision medicine is briefly discussed. | Tingting Liu Dong Lu Hao Zhang Mingyue Zheng Huaiyu Yang Yechun Xu Cheng Luo Weiliang Zhu Kunqian Yu Hualiang Jiang | 2016 | National Science Review2016，3，1： | 2 |
| 16 | The open-close mechanism of M2 channel protein in influenza A virus:A computational study on the hydrogen bonds and cation-π interactions among His37 and Trp41显示文摘The M2 protein from influenza A virus is a tetrameric ion channel. It was reported that the permeation of the ion channel is correlated with the hydrogen bond network among His37 residues and the cation-π interactions between His37 and Trp41. In the present study,the hydrogen bonding network of 4-methyl-imidazoles was built to mimic the hydrogen bonds between His37 residues,and the cation-π interactions between 4-methyl-imidazolium and indole systems were selected to represent the interac-tions between His37 and Trp41. Then,quantum chemistry calculations at the MP2/6-311G level were carried out to explore the properties of the hydrogen bonds and the cation-π interactions. The calcula-tion results indicate that the binding strength of the N-H···N hydrogen bond between imidazole rings is up to -6.22 kcal·mol-1,and the binding strength of the strongest cation-π interaction is up to -18.8 kcal·mol-1(T-shaped interaction) or -12.3 kcal·mol-1(parallel stacking interaction). Thus,the calcu-lated binding energies indicate that it is possible to control the permeation of the M2 ion channel through the hydrogen bond network and the cation-π interactions by altering the pH values. | CHENG JiaGao ZHU WeiLiang WANG YanLi YAN XiuHua LI Zhong TANG Yun JIANG HuaLiang | 2008 | Science China Chemistry2008，51，8： | 2 |
| 17 | Steered molecular dynamics simulations of protein-ligand interactions显示文摘Studies of protein-ligand interactions are helpful to elucidating the mechanisms of ligands, providing clues for rational drug design. The currently developed steered molecular dy- namics (SMD) is a complementary approach to experimental techniques in investigating the biochemical processes occurring at microsecond or second time scale, thus SMD may provide dynamical and kinetic processes of ligand-receptor binding and unbinding, which cannot be ac- cessed by the experimental methods. In this article, the methodology of SMD is described, and the applications of SMD simulations for obtaining dynamic insights into protein-ligand interactions are illustrated through two of our own examples. One is associated with the simulations of bind- ing and unbinding processes between huperzine A and acetylcholinesterase, and the other is concerned with the unbinding process of α-APAfrom HIV-1 reverse transcriptase. | XU Yechun SHEN Jianhua LUO Xiaomin SHEN Xu CHEN Kaixian JIANG Hualiang | 2004 | Science China Chemistry2004，47，5： | 2 |
| 18 | Conformational sampling on acid-sensing ion channel 1 (ASIC1): implication for a symmetric conformation显示文摘 | Huaiyu Yang Ye Yu Wei-Guang Li Tian-LeXu Hualiang Jiang | 2009 | Cell Research2009，19，8： | 2 |
| 19 | A potent PGK1 antagonist reveals PGK1 regulates the production of IL-1βand IL-6显示文摘Glycolytic metabolism enzymes have been implicated in the immunometabolism field through changes in metabolic status. PGK1 is a catalytic enzyme in the glycolytic pathway. Here, we set up a high-throughput screen platform to identify PGK1 inhibitors. DC-PGKI is an ATPcompetitive inhibitor of PGK1 with an affinity of Kd= 99.08 nmol/L. DC-PGKI stabilizes PGK1in vitro and in vivo, and suppresses both glycolytic activity and the kinase function of PGK1. In addition,DC-PGKI unveils that PGK1 regulates production of IL-1β and IL-6 in LPS-stimulated macrophages.Mechanistically, inhibition of PGK1 with DC-PGKI results in NRF2(nuclear factor-erythroid factor 2-related factor 2, NFE2L2) accumulation, then NRF2 translocates to the nucleus and binds to the proximity region of Il-1β and Il-6 genes, and inhibits LPS-induced expression of these genes. DC-PGKI ameliorates colitis in the dextran sulfate sodium(DSS)-induced colitis mouse model. These data support PGK1 as a regulator of macrophages and suggest potential utility of PGK1 inhibitors in the treatment of inflammatory bowel disease. | Liping Liao Wenzhen Dang Tingting Lin Jinghua Yu Tonghai Liu Wen Li Senhao Xiao Lei Feng Jing Huang Rong Fu Jiacheng Li Liping Liu Mingchen Wang Hongru Tao Hualiang Jiang Kaixian Chen Xingxing Diao Bing Zhou Xiaoyan Shen Cheng Luo | 2022 | Acta Pharmaceutica Sinica B2022，12，11： | 2 |
| 20 | Oral remdesivir derivative VV116 is a potent inhibitor of respiratory syncytial virus with efficacy in mouse model显示文摘Dear Editor,Respiratory syncytial virus(RSV)is the leading cause of serious lower respiratory tract disease in children under 5 years of age worldwide,causing an estimated 3.2 million hospitalizations and 120,000 deaths in children globally per year.Furthermore,nearly all children can be infected with RSV by 2 years of age,and individuals can be repeatedly re-infected with RSV throughout life,which poses great threats to infants,the elderly. | Ruxue Zhang Yumin Zhang Wei Zheng Weijuan Shang Yan Wu Ning Li Jun Xiong Hualiang Jiang Jingshan Shen Gengfu Xiao Yuanchao Xie Leike Zhang | 2022 | Signal Transduction and Targeted Therapy2022，7，5： | 2 |
您所在的机构暂未开通此部分的功能，请联系管理员