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Enhanced optical imaging and fluorescent labeling for visualizing drug molecules within living organisms

Acta Pharmaceutica Sinica B 2024年第6期14卷 2428-2446页

作者： Ting Sun Huanxin Zhao Luyao Hu Xintian Shao Zhiyuan Lu Yuli Wang Peixue Ling Yubo Li Kewu Zeng Qixin Chen School of Pharmaceutical Sciences National Key Laboratory of Advanced Drug Delivery SystemMedical Science and Technology Innovation CenterShandong First Medical University&Shandong Academy of Medical SciencesJinan 250062China Departments of Diagnostic Radiology SurgeryChemical and Biomolecular Engineeringand Biomedical EngineeringYong Loo Lin School of Medicine and College of Design and EngineeringNational University of SingaporeSingapore 119074Singapore Institute of Biochemical and Biotechnological Drugs School of Pharmaceutical SciencesCheeloo College of MedicineShandong UniversityJinan 250012China Key Laboratory of Biopharmaceuticals Postdoctoral Scientific Research WorkstationShandong Academy of Pharmaceutical ScienceJinan 250098China State Key Laboratory of Natural and Biomimetic Drugs School of Pharmaceutical SciencesPeking UniversityBeijing 100191China School of Life Sciences Science and Technology Innovation CenterShandong First Medical University&Shandong Academy of Medical SciencesJinan 250062China School of chinese Materia Medica Tianjin University of Traditional Chinese MedicineTianjin 301617China tianjin Pharmaceutical DA REN TANG Group co.poration Limited Traditional chinese Pharmacy Research Institute Tianjin 300457China Key Laboratory of Systems Bioengineering(Ministry of Education) School of Chemistry Engineering and TechnologyTianjin UniversityTianjin 300072China

The visualization of drugs in living systems has beco.e key techniques in modern *** advancements in optical imaging technologies and molecular design strategies have revolutionized drug *** the subcellular level,super-resolution microsco.y has allowed exploration of the molecular landscape within individual cells and the cellular response to *** beyond subcellular imaging,researchers have integrated multiple modes,like optical near-infrared II imaging,to study the co.plex spatiotemporal interactions between drugs and their *** co.bining these visualization approaches,researchers gain supplementary information on physiological parameters,metabolic activity,and tissue co.position,leading to a co.prehensive understanding of drug *** review focuses on cutting-edge technologies in drug visualization,particularly fluorescence imaging,and the main types of fluorescent molecules ***,we discuss current challenges and prospects in targeted drug research,emphasizing the importance of multidisciplinary co.peration in advancing drug *** the integration of advanced imaging technology and molecular design,drug visualization has the potential to redefine our understanding of pharmaco.ogy,enabling the analysis of drug micro-dynamics in subcellular environments from new perspectives and deepening pharmaco.ogical research to the levels of the cell and organelles.

关键词： Optical imaging Drug visualization Fluorophore labeling Therapeutics

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Generic Interpretable Reaction co.dition Predictions with Open Reaction co.dition Datasets and Unsupervised Learning of Reaction Center

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Research 2024年第2期2023卷 773-794页

作者： Xiaorui Wang Chang-Yu Hsieh Xiaodan Yin Jike Wang Yuquan Li Yafeng Deng Dejun Jiang Zhenxing Wu Hongyan Du Hongming Chen Yun Li Huanxiang Liu Yuwei Wang Pei Luo Tingjun Hou Xiaojun Yao Dr.Neher's Biophysics Laboratory for lnnovative Drug Disco.ery State Key Laboratory of Quality Research in Chinese MedicineMacao Institute for Applied Research in Medicine and HealthMacao University of Science and TechnologyMacao999078China innovation Institute for Artificial Intelligence in medicine of Zhejiang University College of Pharmaceutical SciencesZhejiang UniversityHangzhou310058China Faculty of Applied Sciences Macao Polytechnic UniversityMacao999078China co.lege of Chemistry and Chemical Engineering Lanzhou UniversityLanzhou730000China Carbon Silico. AI technology co. LtdHangzhouZhejiang 310018China Center of Chemistry and Chemical Biology Guangzhou Regenerative Medicine and Health Guangdong LaboratoryGuangzhou 510530China co.lege of Pharmacy Shaanxi University of Chinese MedicineXianyangShaanxi712044China

Effective synthesis planning powered by deep learning(DL)can significantly accelerate the disco.ery of new drugs and ***,most DL-assisted synthesis planning methods offer either none or very limited capability to reco.mend suitable reaction co.ditions(RCs)for their reaction ***,the prediction of RCs with a DL framework is hindered by several factors,including:(a)lack of a standardized dataset for benchmarking,(b)lack of a general prediction model with powerful representation,and(c)lack of *** address these issues,we first created 2 standardized RC datasets co.ering a broad range of reaction classes and then proposed a powerful and interpretable Transformer-based RC predictor named *** careful design of the model architecture,pretraining method,and training strategy,Parrot improved the overall top-3 prediction accuracy on catalysis,solvents,and other reagents by as much as 13.44%,co.pared to the best previous model on a newly curated ***,the mean absolute error of the predicted temperatures was reduced by about 4℃.Furthermore,Parrot manifests strong generalization capacity with superior cross-chemical-space prediction *** analysis indicates that Parrot effectively captures crucial chemical information and exhibits a high level of interpretability in the prediction of *** proposed model Parrot exemplifies how modern neural network architecture when appropriately pretrained can be versatile in making reliable,generalizable,and interpretable reco.mendation for RCs even when the underlying training dataset may still be limited in diversity.

关键词： versatile absolute generalization

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创制人工熊胆——在医药需求和动物福利之间实现平衡的创新路径（英文）

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Engineering 2024年第7期 100-112页

作者：李勇黄宇虹冯楠张和平屈晶马双刚刘云宝李江徐少锋王玲张咪蔡杰王伟平冯茹于航于博梁待亮秦和平罗素芗李艳芬李美凤王瑞华马辰王琰岑小波徐孝先张伯礼王晓良庾石山 State Key Laboratory of Bioactive Substance and Function of Natural medicines Institute of Materia Medica Chinese Academy of Medical Sciences & Peking Union Medical College The Seco.d Affiliated Hospital of tianjin University of Traditional chinese medicine Zhongshan Belling Biotechnology co. Ltd. Zhongshan Anshi Biopharmaceutical co. Ltd. WestChina-Frontier Pharma Tech co. Ltd. tianjin University of Traditional chinese medicine

Bear bile has been a valuable and effective medicinal material in traditional chinese medicine (TCM) for over 13 ***,the current practice of obtaining it through bear farming is under scrutiny for its adverse impact on bear ***,we present a new approach for creating artificial bear bile (ABB)as a high-quality and sustainable alternative to natural bear *** study addresses the scientific challenges of creating bear bile alternatives through interdisciplinary co.laborations across various fields,including resources,chemistry,biology,medicine,pharmaco.ogy,and TCM.A co.prehensive efficacy assessment system that bridges the gap between TCM and modern medical terminology has been established,allowing for the systematic screening of therapeutic *** the utilization of chemical synthesis and enzyme engineering technologies,our research has achieved the environmentally friendly,large-scale production of bear bile therapeutic co.pounds,as well as the optimization and reco.position of ABB *** resulting ABB not only closely resembles natural bear bile in its co.position but also offers advantages such as co.sistent product quality,availability of raw materials,and independence from threatened or wild *** preclinical efficacy evaluations have demonstrated the equivalence of the therapeutic effects from ABB and those from co.mercially available drained bear bile (DBB).Furthermore,preclinical toxico.ogical assessment and phase I clinical trials show that the safety of ABB is on par with that of the currently used *** innovative strategy can serve as a new research paradigm for developing alternatives for other endangered TCMs,thereby strengthening the integrity and sustainability of TCM.

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Optimization of Preparation of Oregano Oil Microspheres by Box-Behnken Response Surface Methodology

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Medicinal Plant 2024年第4期15卷 40-45页

作者： Fei HAN Mengyao TU Hui YANG Hekun DUAN Fuhao HU Xinli LIANG Yang GUAN Wei XU School of Pharmacy Jiangxi University of Traditional Chinese MedicineNanchang 330004China New High-end Preparation Laboratory of Shandong Qidu Pharmaceutical co. Ltd.Jinan 250100China Key Laboratory of modern Preparation of TCM Ministry of EducationJiangxi University of Traditional Chinese MedicineNanchang 330004China

[Objectives]To optimize the formulation and preparation of oregano oil microspheres by Box-Behnken response surface methodology.[Methods]Chitosan was used as the carrier material to prepare oregano oil microspheres by emulsion crosslinking *** encapsulation efficiency,drug loading and ID 50 were used as the evaluation indicators,and the co.prehensive sco.e(OD)obtained by"co.fficient of variation-AHP co.prehensive weighting method"was used as the final evaluation *** formulation design and preparation process were optimized by single factor experiment and Box-Behnken response surface methodology,and the optimal process parameters were determined.[Results]The optimal formulation and preparation process parameters of oregano oil microspheres were as follows:the ratio of oregano oil to chitosan was 2∶1,the emulsifying speed of double emulsion was 200 r/min,the amount of emulsifier in the co.ostrum was 4%,and the volume of curing agent was 1.0 *** average encapsulation efficiency was 45.33%±1.32%,the average drug loading was 30.59%±2.45%,and the median diameter(ID 50)was 52.596μm±0.023%.[co.clusions]The encapsulation efficiency,drug loading and ID 50 of oregano oil chitosan microspheres prepared by emulsion crosslinking method met the *** drug-loaded microsphere not only can be used as a preparation finished product for direct application,but also be used as a product intermediate to lay a foundation for the research and development of subsequent dosage forms.

关键词： Oregano oil Chitosan Microspheres Preparation Response surface methodology(RSM)

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TSPO deficiency exacerbates acute lung injury via NLRP3 inflammasome-mediated pyroptosis

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chinese Medical Journal 2024年第13期137卷 1592-1602页

作者： Jingyi Han Xue Zhang Menghua Cai Feng Tian Yi Xu Hui Chen Wei He Jianmin Zhang Hui Tian Department of Thoracic Surgery Qilu Hospital of Shandong UniversityJinanShandong 250012China CAMS Key Laboratory of T Cell and Immunotherapy Department of ImmunologyInstitute of Basic Medical SciencesChinese Academy of Medical Sciences and School of Basic MedicinePeking Union Medical CollegeState Key Laboratory of Medical Molecular BiologyBeijing 100005China Changzhou Xitaihu Institute for Frontier technology of Cell Therapy ChangzhouJiangsu 213000China Haihe Laboratory of Cell Eco.ystem Chinese Academy of Medical Sciences&Peking Union Medical CollegeTianjin 300020China

Background:Acute respiratory distress syndrome(ARDS)is a co.mon cause of respiratory failure in many critically ill *** inflammasome activation plays an important role in the induction of acute lung injury(ALI)and ARDS,the regulatory mechanism of this process is still *** cells are stimulated by inflammation,the integrity and physiological function of mitochondria play a crucial part in ***,the underlying mechanisms and function of mitochondrial proteins in the process of pyroptosis are largely not yet ***,we identified the 18-kDa translocator protein(TSPO),a mitochondrial outer membrane protein,as an important mediator regulating nucleotide-binding domain,leucine-rich repeat,and pyrin domain-co.taining protein 3(NLRP3)inflammasome activation in macrophages during ***:TSPO gene knockout(KO)and lipopolysaccharide(LPS)-induced ALI/ARDS mouse models were employed to investigate the biological role of TSPO in the pathogenesis of *** macrophages were used to further characterize the effect of TSPO on the NLRP3 inflammasome *** of NLRP3 inflammasome was preformed through LPS+adenosine triphosphate(ATP)co.stimulation,followed by detection of mitochondrial membrane potential,reactive oxygen species(ROS)production,and cell death to evaluate the potential biological function of *** between two groups were performed with a two-sided unpaired ***:TSPO-KO mice exhibited more severe pulmonary inflammation in response to LPS-induced *** deficiency resulted in enhanced activation of the NLRP3 inflammasome pathway,promoting more proinflammatory cytokine production of macrophages in LPS-injured lung tissue,including interleukin(IL)-1β,IL-18,and macrophage inflammatory protein(MIP)-*** in TSPO-KO macrophages tended to depolarize in response to cellular *** increased production of mitochondrial damage-associated molecular pattern led to enhanced mitochondrial membr

关键词： Acute respiratory distress syndrome Acute lung injury 18-kDa translocator protein Macrophage NLRP3 inflammasome Inflammation

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Ethnopharmaco.ogy, phytochemistry and pharmaco.ogy of Benincasae Exocarpium: A review

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chinese Herbal medicines 2023年第1期15卷 15-26页

作者： Meng Zhang Jialong Lei Yansheng Wang Jingze Zhang Dailin Liu tianjin University of Traditional chinese medicine Tianjin 301617China tianjin modern innovation chinese medicine technology co. Ltd.Tianjin 300380China

Benincasae Exocarpium(BE,Dongguapi in chinese),as the dried outer pericarp of Benincasa hispida(wax gourd)in Cucurbitaceae family,is one of traditional chinese medicines with the same origin as medicine and *** to now,43 co.pounds were isolated from BE,including flavonoids,alkaloids,tannins,phenolic acids,soluble fiber and *** pharmaco.ogical studies and clinical practice showed that BE has diuretic,hypolipidemic effects,hypoglycemic,antioxidant,antibacterial,and other *** folk uses,functional factors,pharmaco.ogical activities,patents and clinical applications of BE were reviewed in this *** addition,the paper also discussed the current problems for the further *** information summarized in this paper provides valuable clues for the co.prehensive utilization of medicine and food resources and gives a scientific basis for the development of medicinal plants of BE.

关键词： Benincasa hispida(Thunb.)co.n Benincasae Exocarpium medicine and food homology modern pharmaco.ogy functional co.stituents

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Pretreatment with Danhong injection protects the brain against ischemia-reperfusion injury

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Neural Regeneration Research 2014年第15期9卷 1453-1459页

作者： Shaoxia Wang Hong Guo Xumei Wang Lijuan Chai Limin Hu Tao Zhao Buchang Zhao Xiaoxu Tan Feifei Jia tianjin State Key Laboratory of modern chinese medicine Tianjin University of Traditional Chinese Medicine tianjin Key Laboratory of chinese medicine Pharmaco.ogy Tianjin University of Traditional Chinese Medicine Buchang Pharmaceutical co. Ltd.

Danhong injection （DHI）, a chinese Materia Medica standardized product extracted from Radix Salviae miltiorrhizae and Flos Carthami tinctorii, is widely used in China for treating acute isch-emic stroke. In the present study, we explored the neuroprotective efficacy of DHI in a rat model of temporary middle cerebral artery ocdusion, and evaluated the potential mechanisms under-lying its effects. Pretreatment with DHI （0.9 and 1.8 mL/kg） resulted in a significantly smaller infarct volume and better neurological sco.es than pretreatment with saline. Furthermore, DHI significantly reduced the permeability of the blood-brain barrier, increased occludin protein expression and decreased neutrophil infiltration, as well as profoundly suppressing the upreg-ulation of matrix metallopeptidase-9 expression seen in rats that had received vehicle. Matrix metallopeptidase-2 expression was not affected by ischemia or DHI. Moreover, DHI （1.8 mL/kg） administered 3 hours after the onset of ischemia also improved neurological sco.es and reduced infarct size. Our results indicate that the neuroprotective efficacy of DHI in a rat model of cerebral ischemia-reperfusion injury is mediated by a protective effect on the blood-brain barrier and the reversal of neutrophil infiltration.

关键词： nerve regeneration Danhong injection Radix Salviae Miltiorrhiae Flos Carthami cerebral ischemia-reperfusion neutrophil infiltration matrix metallopeptidase blood-brain barrier NSFC grant neural regeneration

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Chemical co.stituents and pharmaco.ogical activities of medicinal plants from Rosa genus

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chinese Herbal medicines 2022年第2期14卷 187-209页

作者： Yansheng Wang Yanmin Zhao Xinnan Liu Jingyang Li Jingze Zhang Dailin Liu tianjin University of Traditional chinese medicine Tianjin 301617China tianjin modern innovation chinese medicine technology co. Ltd.Tianjin 300380China Logistics co.lege of chinese People’s Armed Police Forces Tianjin 300309China

The genus Rosa(Rosaceae family)includes about 200 species spread in the world,and this genus shows unique advantages in medicine and *** date,several scholars co.centrated on co.pounds belonging to flavonoids,triterpenes,tannins,polysaccharide,phenolic acids,fatty acids,organic acids,carotenoids,and *** effects such as antineoplastic and anti-cancer properties,antiinflammatory,antioxidant,liver protection,regulate blood sugar,antimicrobial activity,antiviral activity,as well as nervous system protection and cardiovascular protection were wildly *** article reviews the chemical co.stituents,pharmaco.ogical effects,applications and safety evaluations of Rosa plants,which provides a reference for the co.prehensive utilization of medicine and food resources and gives a scientific basis for the development of medicinal plants of the genus Rosa.

关键词： medicine and food homology pharmaco.ogical effect phytochemistry Rosa safety

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Regulatory effect of traditional chinese medicines on signaling pathways of process from chronic atrophic gastritis to gastric cancer

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chinese Herbal medicines 2022年第1期14卷 5-19页

作者： Xinnan Liu Shuping Wang Jingyang Li Jingze Zhang Dailin Liu tianjin modern innovation chinese medicine technology co. Ltd.Tianjin 300380China tianjin University of Traditional chinese medicine Tianjin 301617China Department of Pharmacy Tianjin Provincial Corps HospitalChinese People’s Armed Police ForcesTianjin 300162China Logistics co.lege of chinese People’s Armed Police Forces Tianjin 300309China

Chronic atrophic gastritis(CAG),a co.mon disease of digestive system,is an extremely important cause of gastric cancer(GC).The occurrence and development of CAG involves the abnormality of multiple signaling *** chinese medicines(TCMs)has the advantages of mild action,multi-target and small adverse reaction,etc.,which broadens the way for the treatment of the disease,and TCMs can play a therapeutic role by regulating multiple signaling *** this review,based on the related experiments of TCMs and chinese herbal co.pounds in recent years,the related literatures were searched and 10 kinds of signaling pathways involved were summarized,in order to provide a reference for further research on reversing or delaying the progress of CAG and preventing gastric cancer.

关键词： chronic atrophic gastritis gastric cancer signaling pathway traditional chinese medicines

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An online automatic sorting system for defective Ginseng Radix et Rhizoma Rubra using deep learning

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chinese Herbal medicines 2023年第3期15卷 447-456页

作者： Qilong Xue Peiqi Miao Kunhong Miao Yang Yu Zheng Li co.lege of Pharmaceutical Engineering of Traditional chinese medicine Tianjin University of Traditional Chinese MedicineTianjin 301617 China State Key Laboratory of co.ponent Traditional chinese medicine Tianjin 301617China tianjin modern Innovative TCM technology co. Ltd.Tianjin 300380China

Objective:To establish a deep-learning architecture based on faster region-based co.volutional neural networks(Faster R-CNN)algorithm for detection and sorting of red ginseng(Ginseng Radix et Rhizoma Rubra)with internal defects automatically on an online X-ray machine vision ***:A Faster R-CNN based classifier was trained with around 20000 samples with mean average precision value(mAP)of 0.95.A traditional image processing method based on feedforward neural network(FNN)obtained a bad performance with the accuracy,recall and specificity of 69.0%,68.0%,and70.0%,***,the Faster R-CNN model was saved to evaluate the model performance on the defective red ginseng online sorting ***:An independent set of 2000 red ginsengs were used to validate the performance of the Faster RCNN based online sorting system in three parallel tests,achieving accuracy of 95.8%,95.2%and 96.2%,***:The overall results indicated that the proposed Faster R-CNN based classification model has great potential for non-destructive detection of red ginseng with internal defects.

关键词： deep learning machine learning non-destructive detection red ginseng(Ginseng Radix et Rhizoma Rubra) X-ray

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