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Silent or low expression of bla TEM and bla SHV suggests potential for targeted proteomics in clinical detection of β-lactamase-related antimicrobial resistance

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Journal of Pharmaceutical Analysis 2025年

作者： Huige Wu Wenting Dong Xinxin Hu Chunyang Xie Xinyi Yang Congran Li Guoqing Li Yun Lu Xuefu You Laboratory of Pharmacology Institute of Medicinal Biotechnology Chinese Academy of Medical Sciences and Peking Union Medical College Beijing 100050 China Division for Medicinal Microorganisms Related Strains CAMS Collection Center of Pathogenic Microorganisms Beijing 100050 China State Key Laboratory of Bioactive Substances and Functions of Natural Medicines Institute of Medicinal Biotechnology Chinese Academy of Medical Sciences & Peking Union Medical College Beijing 100050 China

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Erratum: Author correction to 'Establishment of pseudovirus infection mouse models for in vivo pharmacodynamics evaluation of filovirus entry inhibitors' [Acta Pharmaceutica Sinica B 8 (2018) 200-208]

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Acta pharmaceutica Sinica. B 2020年第8期10卷 1586-1587页

作者： Qing Chen Ke Tang Xiaoyu Zhang Panpan Chen Ying Guo State Key Laboratory of Bioactive Substances and Function of Natural Medicines Department of Pharmacology Institute of Materia Medica Chinese Academy of Medical Sciences Peking Union Medical College Beijing 100050 China.

[This corrects the article DOI: 10.1016/***.2017.08.003.].

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Bidirectional chemical intelligent net: A unified deep learning–based framework for predicting chemical reaction

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Chinese Chemical Letters 2025年

作者： Xi Xue Kai Chen Hanyu Sun Xiangying Liu Xue Liu Shize Li Jingjie Yan Yu Peng Mohammad S. Mubarak Ahmed Al-Harrasi Hai-Yu Hu Yafeng Deng Xiandao Pan Xiaojian Wang State Key Laboratory of Bioactive Substances and Functions of Natural Medicines Institute of Materia Medica Peking Union Medical College and Chinese Academy of Medical Sciences Beijing 100050 China Beijing Key Laboratory of Active Substances Discovery and Druggability Evaluation Department of Medicinal Chemistry Institute of Materia Medica Peking Union Medical College and Chinese Academy of Medical Sciences Beijing 100050 China Department of Chemistry The University of Jordan Amman 11942 Jordan Natural and Medical Sciences Research Center University of Nizwa Nizwa 616 Oman CarbonSilicon AI Technology Co. Ltd. Beijing 100080 China

Chemical reactions, which transform one set of substances to another, drive research in chemistry and biology. Recently, computer-aided chemical reaction prediction has spurred rapidly growing interest, and various deep learning–based algorithms have been proposed. However, current efforts primarily focus on developing models that support specific applications, with less emphasis on building unified frameworks that predict chemical reactions. Here, we developed Bidirectional Chemical Intelligent Net (BiCINet), a prediction framework based on Bidirectional and Auto-Regressive Transformers (BARTs), for predicting chemical reactions in various tasks, including the bidirectional prediction of organic synthesis and enzyme-mediated chemical reactions. This versatile framework was trained using general chemical reactions and achieved top-1 forward and backward accuracies of 80.6% and 48.6%, respectively, for the public benchmark dataset USPTO_50K. By multitask transfer learning and integrating various task prompts into the model, BiCINet enables retrosynthetic planning and metabolic prediction for small molecules, as well as retrosynthetic analysis and enzyme-catalyzed product prediction for natural products. These results demonstrate the superiority of our multifunctional framework for comprehensively understanding chemical reactions.

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Conversion and pharmacokinetics profiles of a novel pro-drug of 3-n-butylphthalide, potassium 2-(1-hydroxypentyl)-benzoate, in rats and dogs

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中国药理学报（英文版） 2018年第2期39卷 275-285页

作者： Jiang LI Shao-feng XU Ying PENG Nan FENG Ling WANG Xiao-liang WANG State Key Laboratory of Bioactive Substances and Functions of Natural Medicines Institute of Materia Medica Chinese Academy of Medical Sciences & Peking Union Medical College Beijing 100050 China

Potassium 2-(1-hydroxypentyl)-benzoate (dl-PHPB) is a novel pro-drug of 3-n-butylphthalide (dl-NBP) that is used to treat ischemic ***,dl-PHPB is in phase Ⅱ-Ⅲ clinical trials in *** this study,we investigated the conversion and pharmacokinetics profiles of dl-PHPB in vitro and in *** conversion of dl-PHPB to dl-NBP was pH-and calcium-dependent,and paraoxonase was identified as a major enzyme for the conversion in rat *** pharmacokinetics,tissue distribution and excretion of dl-PHPB were studied and compared with equal-molar doses of dl-NBP in rats and *** in vivo studies showed that dl-PHPB could be quickly and completely converted to *** plasma concentration-time course of converted dl-NBP after intravenous dl-PHPB administration was nearly the same as that after equal-molar *** Cmax and AUC of dl-NBP after oral dl-PHPB administration in rats and dogs were higher by 60％ and 170％,respectively,than those after oral dl-NBP *** of the tissue distribution of dl-PHPB revealed that converted dl-NBP was primarily distributed in fat,the brain and the *** the brain,the levels of dl-NBP were relatively higher after dl-PHPB treatment by orally than after treatment with equal-molar *** 3％-4％ of dl-NBP was excreted within 72 h after dosing with dl-PHPB or dl-NBP,but no dl-PHPB was detected in urine or feces *** results demonstrate that the conversion of dl-PHPB is fast after oral or intravenous ***,the bioavailability of dl-PHPB was obviously better than that of dl-NBP.

关键词： potassium 2-(1-hydroxypentyl)-benzoate (dl-PHPB) pro-drug 3-n-butylphthalide (dl-NBP) ischemic stroke pharmacokinetics bioavailability

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Pharmacological effects of Rg1 in neuropsychopharmacology

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中国药理学与毒理学杂志 2019年第10期 842-843页

作者： GAO Yan CHU Shi-feng ZHANG Zhao ZHANG Lan CHEN Nai-hong State Key Laboratory of Bioactive Substances and Functions of Natural Medicines Institute of Materia MedicaNeuroscience Center Chinese Academy of Medical Sciences and Peking Union Medical College Department of Pharmacy Xuanwu Hospital of Capital Medical University Hunan University of Chinese Medicine

Panax Ginseng has been used for thousands of years in traditional Chinese medicine(TCM) as a tonic to improver stamina and vitality. Ginsenoside Rg1(Rg1), a saponin extracted from Panax ginseng, is considered one of the most potent pharmacological candidates among TCM. In various diseases related to nervous system, Rg1 has shown excellent pharmacological activities.(1) Stroke: Rg1 has been well documented to be effective against ischemic/reperfusion(I/R) neuronal injury. A systematic review and meta-analysis revealed a marked efficacy of Rg1 in experimental acute ischemic stroke, as manifested by its ability to reduce infract volume and improve neurological score. The protective effects of Rg1 were abolished by injecting of AAV-HIF-mi R-144-sh RNA into the predicted ischemic penumbra.(2) Depression: in addition, Rg1 showed antidepressive effects in chronic unpredictable mild stress(CUMS) model of depression and in gonadectomized(GDX) model of neuroendocrine disturbance. Rg1 displayed antidepressant activity through the modulation of HPA and HPG axis, markedly alleviated depression-like behavior in rats. Long-term Rg1 treatment of CUS-exposed rats also significantly prevented the decrease in dye diffusion and improved the ultrastructure of astrocyte gap junctions in the ***1 upregulated Cx43 expression in PFC reduced by CUS exposure, indicating beneficial effects on the functional activity of gap junction channels in the brain.(3)Parkinson disease(PD): oral treatment with Rg1 significantly attenuated high MPTP-induced mortality, behavior defects, loss of dopamine neurons and abnormal unltrastructure changes in SNpc. It regulated MPTP-induced reactive astrocytes and microglia and decreased the release of cytokines such as TNF-α and IL-1β in ***1 also alleviated the unusual MPTP-induced increase in oligomeric, phosphorylated and disease-related α-synuclein in SNpc.(4) Alzheimer disease(AD): okadaic acid(OKA) intracerebroventricular injection induced memory impai

关键词： ginsenoside Rg1 neuropsychopharmacology multiple targets

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Corrigendum to "A bibenzyl compound 20C protects rats against 6-OHDA-induced damage by regulating adaptive immunity associated molecules" [Int. Immunopharmol. 91 (2021) 107269]

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International immunopharmacology 2021年 96卷 107646页

作者： Shuo Wang Qi-Wen Han Tian-Tian Zhou Cheng-Lu Zhang Cheng-Gen Zhu Xin Zhou Nai-Hong Chen Yu-He Yuan Jian-Gong Shi State Key Laboratory of Bioactive Substances and Functions of Natural Medicines Institute of Materia Medica Chinese Academy of Medical Sciences and Peking Union Medical College Beijing 100050 China. State Key Laboratory of Bioactive Substances and Functions of Natural Medicines Institute of Materia Medica Chinese Academy of Medical Sciences and Peking Union Medical College Beijing 100050 China. Electronic address: yuanyuhe@***.

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我国自主开发的抗菌新药临床管线最新进展（英文）

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Engineering 2024年第7期 52-68页

作者：杨信怡李聪然王秀坤郑忠辉孙培译许春杰陈鲁妮蒋建东 Staffan Normark Birgitta Henriques-Normark 游雪甫 Beijing Key Laboratory of Antimicrobial Agents/Laboratory of Pharmacology Institute of Medicinal Biotechnology Chinese Academy of Medical Sciences & Peking Union Medical College Division for Medicinal Microorganism-Related Strains CAMS Collection Center of Pathogenic Microorganisms Chinese Academy of Medical Sciences & Peking Union Medical College State Key Laboratory of Bioactive Substances and Functions of Natural Medicines Institute of Medicinal Biotechnology Chinese Academy of Medical Sciences & Peking Union Medical College Shandong Xinhua Pharmaceutical Co. Ltd. Department of Microbiology Tumor and Cell Biology Karolinska Institutet State Key Laboratory of Bioactive Substances and Function of Natural Medicines Institute of Materia Medica Chinese Academy of Medical Sciences & Peking Union Medical College Institute of Medicinal Biotechnology Chinese Academy of Medical Sciences & Peking Union Medical College Clinical Microbiology Karolinska University Hospital

Antibacterial resistance is a global health threat that requires further concrete action on the part of all *** this context,one of the biggest concerns is whether enough new antibacterial drugs are being discovered and *** several high-quality reviews on clinical antibacterial drug pipelines from a global perspective were published recently,none provides comprehensive information on original antibacterial drugs at clinical stages in *** this review,we summarize the latest progress of novel antibacterial drugs approved for marketing and under clinical evaluation in China since *** was obtained by consulting official websites,searching commercial databases,retrieving literature,asking personnel from institutions or companies,and other means,and a considerable part of the data covered here has not been included in other *** of June 30,2023,a total of 20 antibacterial projects from 17 Chinese pharmaceutical companies or developers were identified and *** them,two new antibacterial drugs that belong to traditional antibiotic classes were approved by the National Medical Products Administration (NMPA) in China in 2019 and 2021,respectively,and 18antibacterial agents are in clinical development,with one under regulatory evaluation,five in phase-3,six in phase-2,and six in *** of the clinical candidates are new analogs or monocomponents of traditional antibacterial pharmacophore types,including two dual-acting hybrid antibiotics and a recombinant antibacterial ***,despite there being 17 antibacterial clinical candidates,our analysis indicates that there are still relatively few clinically differentiated antibacterial agents in stages of clinical development in ***,Chinese pharmaceutical companies and institutions will develop more innovative and clinically differentiated candidates with good market potential in the future research and development (R&D) of original antibacterial drug

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Correction to: Exogenous Adenosine Antagonizes Excitatory Amino Acid Toxicity in Primary Astrocytes

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Cellular and molecular neurobiology 2024年第1期44卷 56页

作者： Yingjiao Liu Shifeng Chu Yaomei Hu Songwei Yang Xun Li Qinglian Zheng Qidi Ai Siyu Ren Huiqin Wang Limin Gong Xin Xu Nai-Hong Chen College of Pharmacy Hunan University of Chinese Medicine & Hunan Engineering Technology Center of Standardization and Function of Chinese Herbal Decoction Pieces Changsha 410208 China. State Key Laboratory of Bioactive Substances and Functions of Natural Medicines Institute of Materia Medica & Neuroscience Center Chinese Academy of Medical Sciences and Peking Union Medical College Beijing 100050 China. Institute for Brain Research and Rehabilitation South China Normal University Guangzhou 510631 China. College of Pharmacy Hunan University of Chinese Medicine & Hunan Engineering Technology Center of Standardization and Function of Chinese Herbal Decoction Pieces Changsha 410208 China. chennh@***. State Key Laboratory of Bioactive Substances and Functions of Natural Medicines Institute of Materia Medica & Neuroscience Center Chinese Academy of Medical Sciences and Peking Union Medical College Beijing 100050 China. chennh@***. Institute for Brain Research and Rehabilitation South China Normal University Guangzhou 510631 China. chennh@***.

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A potential strategy for treating atherosclerosis： improving endothelial function via AMP-activated protein kinase

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Science China(Life Sciences) 2018年第9期61卷 1024-1029页

作者： Feng Gao Jiemei Chen Haibo Zhu State Key Laboratory for Bioactive Substances and Functions of Natural Medicines Beijing Key Laboratory of New Drug Mechanisms and Pharmacological Evaluation Study Institute of Materia Medica Chinese Academy of Medical Sciences & Peking Union Medical CollegeBeijing 100050 China

Endothelial dysfunction is caused by many factors, such as dyslipidemia, endoplasmic reticulum(ER) stress, and *** has been demonstrated that endothelial dysfunction is the initial process of atherosclerosis. AMP-activated protein kinase(AMPK) is an important metabolic switch that plays a crucial role in lipid metabolism and inflammation. However, recent evidence indicates that AMPK could be a target for atherosclerosis by improving endothelial function. For instance, activation of AMPK inhibits the production of reactive oxygen species induced by mitochondrial dysfunction, ER stress, and NADPH oxidase. Moreover, activation of AMPK inhibits the production of pro-inflammatory factors induced by dyslipidemia and hyperglycemia and restrains production of perivascular adipose tissue-released adipokines. AMPK activation prevents endothelial dysfunction by increasing the bioavailability of nitric oxide. Therefore, we focused on the primary risk factors involved in endothelial dysfunction, and summarize the features of AMPK in the protection of endothelial function, by providing signaling pathways thought to be important in the pathological progress of risk factors.

关键词： atherosclerosis AMP-activated protein kinase cardiovascular diseases inflammation autophagy

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The α4β2 nAChRs Contribute to Regulating the Emotion in CUMS Mice by Balancing Neurotransmitters

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神经药理学报 2019年第4期 47-48页

作者： YU Zi-ru LIANG Yu SONG Jun-ke SHEN Yan-jia ZHAO Xiao-yue DU Guan-hua State Key Laboratory of Bioactive Substances and Functions of Natural Medicines Beijing Key Laboratory of Drug Target and Screening ResearchInstitute of Materia MedicaChinese Academy of Medical Sciences and Peking Union Medical College

Depression is a public health threat with high suicide rate,and the World Health Organization predicted that it will become the second largest burden of disease in the world by 2020. Although a great progress have been made in illustrating the pathophysiology of depression,many limitations still exist. The clinical antidepressants can only provide 2/3 of these patients with some relief. Cholinergic-adrenergic theory has received more and more attention in recent years,and the central role of different subtypes has also received attention. Objective:To study the role of α4β2 nAChRs in the antidepressant process in CUMS mice and to explore the mechanism preliminarily. Methods:We established a mouse model of chronic mild unpredictable stress( CUMS),and we antagonized Nicotine using the α4β2 subtype acetylcholine receptor specific antagonist DHβE,also,DHβE administration alone group was set up to rule out the effect of DHβE itself on mice at this dose. Subsequently,the depression-related behaviors,neuronal morphological function,neurotransmitter level,receptor expression level and related signaling pathway protein expression in mice of different administration groups were investigated. Results:Nicotine showed significant antidepressant effects in CUMS mice,which could effectively improve the depression and anxiety behaviors of CUMS mice in tail suspension,forced swimming,sucrose preference test,open field experiment,elevated plus maze test. But the behavior changes of Nicotine were antagonized when α4β2 nAChRs were blocked. Meanwhile,Nicotine improved the neurological function,regulated the ACh and NE contents,decreased β2 nAChRs expression,and activated the PKA-CREB-BDNF signaling pathway. And all these effects were weakened when Nicotine was combined with DHβE,in another word,when α4β2 nAChRs were antagonized. Conclusion:It showed that nicotinic acetylcholine receptor agonists and antagonists were effectivein regulating animal mood both during normal state and after e

关键词： depression chronic unpredictable minor stress(CUMS) α4β2 nAChRs nicotine DHβE PKA-CREB-BDNF signaling pathway

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