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Science China Life Sciences 2025年第1期 300-302页

作者： Ze-Min Lin Mai Xiang Wen-Hui Wei Shu-Hui Fan Li Chen Jie Wang Xiao-Qian Yang Chun-Hao Yang Shi-Jun He Jian-Ping Zuo Laboratory of Immunopharmacology State Key Laboratory of Drug ResearchShanghai Institute of Materia MedicaChinese Academy of Sciences School of Pharmacy University of Chinese Academy of Sciences School of Pharmacy Nanjing University of Chinese Medicine State Key Laboratory of drug research Department of Medicinal ChemistryShanghai Institute of Materia MedicaChinese Academy of Sciences Innovation research Institute of Traditional Chinese Medicine Shanghai University of Traditional Chinese Medicine Experiment center for Science and Technology Shanghai University of Traditional Chinese Medicine

Dear Editor, Phenotypic drug discovery, which observes compound effects on physiology,has given way to targeting specific molecules, but has revived by using modern methods to find drugs based on therapeutic outcomes in disease models(Vincent et al., 2022). Osteoarthritis(OA) is a prevalent chronic joint disorder, primarily affecting knee joints, with osteoclast activation due to low-grade inflammation resulting in increased bone resorption and structural changes in the joint(Katz et al.,2021).

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Synthesis and Crystal Structure of a 3-Arylamino-3-Deoxy Sugar Derivative

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Chinese Journal of Structural Chemistry 2006年第12期25卷 1492-1496页

作者：姬小明孙贺平莫娟刘宏民 New drug research & development center Zhengzhou University

3-Deoxy-3-（p-fluorine-phenylamino）-1,2-O-isopropylidene-α-D-ribofuranose 3 was synthesized and characterized by IR, NMR and H R M S, and its crystal structure was detertnined by X-ray diffraction analysis. Crystal data for 3： monoclinic, space group P21, a=7.0403（14）, b = 6.7780（4）, c = 14.932（3） A, β= 94.74（3）°, C14H18FNO4, Mr = 283.29, V= 710.1（2） A^3, Z = 2, Dc = 1.325 g/cm^3, μ = 0.105 mm^-1, F（000） = 300, the final R = 0.0468 and wR = 0.0926 for 1969 observed reflections （I 〉 2σ（I））. Two intermolecular hydrogen bonds are observed. The absolute configuration of this molecule was confirmed by comparison with that of the original material.

关键词： synthesis crystal structure p-fluorine-phenylamino amino sugar

Spinal cord injury regenerative therapy development:integration of design of experiments

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Neural Regeneration research 2025年第9期20卷 2571-2573页

作者： Yuji Okano Hideyuki Okano Yoshitaka Kase Division of CNS Regeneration and drug Discovery International Center for Brain Science(ICBS)Fujita Health UniversityKutsukake-ChoToyoake-ShiAichiJapan Department of Extended Intelligence for Medicine The Ishii-Ishibashi LaboratoryKeio University School of MedicineShinanomachiShinjuku-KuTokyoJapan Keio University Regenerative Medicine research center Kawasaki-kuKawasaki-shiJapan

Spinal cord injury(SCI)can cause motor and sensory paralysis,and autonomic nervous system disorders including malfunction of urination and defecation,thereby significantly impairing the quality of *** continue to explo re new stem cell strategies for the treatment of paralysis by transpla nting human induced pluripotent stem cell-derived neural ste m/progenitor cells(hiPSCNS/PCs)into spinal cord injured tissues.

关键词： Spinal paralysis injury

Synthesis and Crystal Structure of Dehydroandrographolide Dipolycyclophosphate

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Chinese Journal of Structural Chemistry 2005年第10期24卷 1198-1202页

作者： XU Hai-Wei WANG Jun-Feng LIU Hong-Min ZHANG Jian-Ye New drug research ＆ development center Zhengzhou University Zhengzhou 450052 China

The title compound was synthesized and characterized by IR, NMR, HRSI-MS and MS, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal is of orthorhombic system （C40H52O11P2, Mr= 770.76）, space group P21212, with a = 22.562（5）, b = 29.224（6）, c = 7.1953（14） A, V = 4744.2（16） A^3, Z = 4, Dc = 1.079 g/cm^3, F（000） = 1640 and μ = 0.141 mm^-1. The final R = 0.0758 and wR = 0.1778 for 2794 observed reflections with I 〉 20（I）. Intermolecular hydrogen bonds are found between the O atom of carbonyl group and H atoms of olefinic carbon. The absolute configuration of this molecule was confirmed by comparison with that of the original material.

关键词： crystal structure andrographolide cyciophosphate synthesis

Synthesis and Crystal Structure of (2S,2'S,4'R)-2-(1-Hydroxy-1-ethylpropyl)-1-[(1'-p-tosyl-4'-hydroxypyrrolidin-2'-yl)methyl]pyrrolidine

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Chinese Journal of Structural Chemistry 2006年第10期25卷 1203-1208页

作者： FU Yu-Qin DING Li-Na ZHANG Sheng-Hong TAO Jing-Chao ZHU Yu Department of Chemistry New Drug Research ＆ Development Center Zhengzhou University Zhengzhou 450052 China

The title compound （2S,2＇S,4＇R）-2-（1-hydroxy-1-ethylpropyl）-1-[（1＇-p-tosyl-4＇- hydroxypyrolidin-2＇-yl）methyl]pyrrolidine synthesized by using （2S,4R）-4-hydroxy-L-proline and L-proline as the main materials was characterized through IR, ^1H NMR, ^13C NMR and HRMS spectra as well as single-crystal X-ray diffraction analysis. There is one equivalent ethanol involved in the crystal （C23H40N2O5S, Mr = 456.63）. The crystal belongs to the triclinic system, space group P1, a = 6.5628（13）, b = 8.4228（17）, c = 11.957（2）°A, α= 80.54（3）,β= 83.19（3）, γ= 89.89（3）°, V= 647.3（2） °A^3, Z = 1, D, = 1.171 g/cm^3, λ（MoKα） = 0.71073°A,β = 0.158 mm^-1, F（000） = 248, the final R = 0.0465 and wR = 0.1336 for 1769 observed reflections with I〉 2σ（I）. The adjacent molecules of compound 5 are linked through intermolecular hydrogen bonds formed by the secondary hydroxy group of one molecule with the tertiary hydroxy group of another one, and the molecular chains are further linked by ethanol through two kinds of hydrogen bonds with two molecules from different chains respectively to form a supramolecular structure.

关键词： proline derivative chiral amino alcohol synthesis crystal structure

Optimization of Caesalpinia sappan L. heartwood extraction procedure to obtain the highest content of brazilin and greatest antibacterial activity

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Journal of Integrative Medicine 2019年第5期17卷 351-358页

作者： Sukanya Settharaksa Chaowalit Monton Laksana Charoenchai drug and Herbal Product research and development center College of Pharmacy Rangsit University

Objective: The objective of the work was to optimize the extraction conditions of Caesalpinia sappan *** in order to maximize the brazilin content and antibacterial activity of the ***: Two independent factors were studied: extraction temperature(45–95 °C) and extraction time(30–60 min). In addition, five dependent factors were monitored, including extraction yield, brazilin content, and clear zones against Staphylococcus aureus TISTR 1466, Staphylococcus epidermidis TISTR 518 and Propionibacterium acnes DMST 14961. The brazilin content was quantified by high-performance liquid chromatography and antibacterial activity was determined by disk diffusion ***: The high temperature provided high total extract yield as well as brazilin content, while extraction time had little effect on yield or brazilin content. Extraction time had a positive effect, while extraction temperature had little effect on clear zone against S. aureus. The largest clear zone against S. epidermidis was achieved at low extraction temperature and long extraction time. Conversely, short extraction time and high extraction temperature provided the largest clear zone against P. acnes. The optimal conditions providing the highest brazilin content was an extraction temperature and extraction time of 95 °C and 30 min, *** same optimal conditions also provided the simultaneous greatest antibacterial activity against the three bacteria. Modeled optimal conditions were validated be conducting extraction using these values. Yield and antibacterial activity of the resulting extract demonstrated that the model had a low percentage ***: The optimal condition will be used as a standard condition for extraction of C. sappan heartwood to maximize brazilin content and antibacterial activity.

关键词： Antibacterial activity Brazilin Caesalpinia sappan Optimization

Synthesis of New Thiazine and Thiosemicarbazone Derivatives from D-Xylose

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Chinese Chemical Letters 2006年第12期17卷 1563-1565页

作者： Xiao Ming JI He Ping SUN Hai Wei XU Hong Min LIU New drug research ＆ development center Zhenzhou University Zhengzhou 450052

1,2-O-Isopropylidene-5-O-p-toluenesulfonyl-α-D-erythro-pentofuranos-3-ulose 1 was treated with thiourea and aminothiourea to give a D-ribose derivative 2 bearing a 2-amino 1,3-thiazine ring and a thiosemicarbazone derivative 5, respectively. 2 was acylated with Ac20 and propandioic acid to afford two acylation derivatives 3 and 4, respectively. Reduction of 5 with NaBH4 in methanol produced a hydrothiosemicarbazone derivative 6. The absolute configuration of 2 was confirmed by X-ray crystallographic analysis. The structures of all products were elucidated by IR, NMR and HRMS spectra.

关键词： Thiourea aminothiourea thiazine D-xylose synthesis.

Lipid droplets in the nervous system:involvement in cell metabolic homeostasis

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Neural Regeneration research 2025年第3期20卷 740-750页

作者： Yuchen Zhang Yiqing Chen Cheng Zhuang Jingxuan Qi Robert Chunhua Zhao Jiao Wang School of Life Sciences Shanghai UniversityShanghaiChina School of Medicine Shanghai UniversityShanghaiChina Institute of Basic Medical Sciences Chinese Academy of Medical Sciences School of Basic MedicinePeking Union Medical CollegeBeijingChina center of Excellence in Tissue Engineering Chinese Academy of Medical SciencesBeijingChina Beijing Key Laboratory of New drug development and Clinical Trial of Stem Cell Therapy BeijingChina

Lipid droplets serve as primary storage organelles for neutral lipids in neurons,glial cells,and other cells in the nervous *** droplet formation begins with the synthesis of neutral lipids in the endoplasmic ***,lipid droplets were recognized for their role in maintaining lipid metabolism and energy homeostasis;however,recent research has shown that lipid droplets are highly adaptive organelles with diverse functions in the nervous *** addition to their role in regulating cell metabolism,lipid droplets play a protective role in various cellular stress ***,lipid droplets exhibit specific functions in neurons and glial *** of lipid droplet formation leads to cellular dysfunction,metabolic abnormalities,and nervous system *** review aims to provide an overview of the role of lipid droplets in the nervous system,covering topics such as biogenesis,cellular specificity,and ***,it will explore the association between lipid droplets and neurodegenerative *** the involvement of lipid droplets in cell metabolic homeostasis related to the nervous system is crucial to determine the underlying causes and in exploring potential therapeutic approaches for these diseases.

关键词： Alzheimer's disease lipid droplet biogenesis lipid droplets lipid metabolism nervous system neurodegenerative disorders oxidative stress Parkinson's disease

Crystal Structure and Conformation of an Imino Sugar

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Chinese Journal of Structural Chemistry 2007年第10期26卷 1223-1227页

作者：姬小明徐海伟刘宏民 College of Agronomy Henan University of Agriculture New drug research & development center Zhengzhou University

The title compound 3 was synthesized and characterized by IR, NMR and HRMS, and its crystal structure was determined by X-ray diffraction analysis. The crystal is of monoclinic system （CI6H23NOTS, Mr = 373.41）, space group P21, with a = 12.000（2）, b = 5.5970（11）, c = 13.689（3） A. β= 93.25（3）°, V= 917.9（3） A^3, Z= 2, Dc = 1.351 g/cm^3, F（000） = 396, μ = 0.213 mm^-1, the final R = 0.0489 and ωR = 0.0777 for observed reflections （I 〉 2σ（I））. Three intramolecular and three intermolecular hydrogen bonds were found. The absolute configuration of this molecule was confirmed by comparing with the original material.

关键词： synthesis crystal structure imino sugar

Spastin and alsin protein interactome analyses begin to reveal key canonical pathways and suggest novel druggable targets

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Neural Regeneration research 2025年第3期20卷 725-739页

作者： Benjamin R.Helmold Angela Ahrens Zachary Fitzgerald P.Hande Ozdinler Department of Neurology Feinberg School of MedicineNorthwestern UniversityChicagoILUSA center for Molecular Innovation and drug Discovery Center for Developmental TherapeuticsChemistry of Life Processes InstituteNorthwestern UniversityEvanstonILUSA Mesulam center for Cognitive Neurology and Alzheimer’s Disease Feinberg School of MedicineNorthwestern UniversityChicagoILUSA Feinberg School of Medicine Les Turner ALS Center at Northwestern UniversityChicagoILUSA

Developing effective and long-term treatment strategies for rare and complex neurodegenerative diseases is challenging. One of the major roadblocks is the extensive heterogeneity among patients. This hinders understanding the underlying disease-causing mechanisms and building solutions that have implications for a broad spectrum of patients. One potential solution is to develop personalized medicine approaches based on strategies that target the most prevalent cellular events that are perturbed in patients. Especially in patients with a known genetic mutation, it may be possible to understand how these mutations contribute to problems that lead to neurodegeneration. Protein–protein interaction analyses offer great advantages for revealing how proteins interact, which cellular events are primarily involved in these interactions, and how they become affected when key genes are mutated in patients. This line of investigation also suggests novel druggable targets for patients with different mutations. Here, we focus on alsin and spastin, two proteins that are identified as “causative” for amyotrophic lateral sclerosis and hereditary spastic paraplegia, respectively, when mutated. Our review analyzes the protein interactome for alsin and spastin, the canonical pathways that are primarily important for each protein domain, as well as compounds that are either Food and drug Administration–approved or are in active clinical trials concerning the affected cellular pathways. This line of research begins to pave the way for personalized medicine approaches that are desperately needed for rare neurodegenerative diseases that are complex and heterogeneous.

关键词： ALS2 alsin amyotrophic lateral sclerosis hereditary spastic paraplegia neurodegenerative diseases personalized medicine precision medicine protein interactome protein-protein interactions SPAST spastin