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Specific Recognition of Quindoline Derivatives on Promoter G-Quadruplex and the Biological Relevance

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Specific Recognition of Quindoline Derivatives on Promoter G...

第八届全国化学生物学学术会议

作者： Tian-miao Ou Yue Wu jia-heng tan Lian-quan Gu Zhi-shu Huang School of Pharmaceutical Sciences Sun Yat-sen University

＜正＞G-quadruplexes are unique secondary structure exist in various non-coding region of human genome and exhibit important biological roles in the regulation of gene replication,transcription,and *** derivatives are a modified series of derivatives from natural product cryptolepine and showed great stabilizing ability on G-quadruplex in c-myc promoter in the previous *** I will present our

关键词： G-quadruplex oncogene promoter quindoline derivatives transcription regulation

Inhibiting SHP2 reduces glycolysis, promotes microglial M1 polarization, and alleviates secondary inflammation following spinal cord injury in a mouse model

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Neural Regeneration Research 2025年第3期20卷 858-872页

作者： Xintian Ding Chun Chen heng Zhao Bin Dai Lei Ye Tao Song Shuai Huang jia Wang Tao You Department of Orthopedics The First Affiliated Hospital of USTCDivision of Life Sciences and MedicineUniversity of Science and Technology of ChinaHefeiAnhui ProvinceChina Department of Orthopedics Provincial Hospital Affiliated to Anhui Medical UniversityHefeiAnhui ProvinceChina

Reducing the secondary inflammatory response, which is partly mediated by microglia, is a key focus in the treatment of spinal cord injury. Src homology 2-containing protein tyrosine phosphatase 2(SHP2), encoded by PTPN11, is widely expressed in the human body and plays a role in inflammation through various mechanisms. Therefore, SHP2 is considered a potential target for the treatment of inflammation-related diseases. However, its role in secondary inflammation after spinal cord injury remains unclear. In this study, SHP2 was found to be abundantly expressed in microglia at the site of spinal cord injury. Inhibition of SHP2 expression using siRNA and SHP2 inhibitors attenuated the microglial inflammatory response in an in vitro lipopolysaccharide-induced model of inflammation. Notably, after treatment with SHP2 inhibitors, mice with spinal cord injury exhibited significantly improved hind limb locomotor function and reduced residual urine volume in the bladder. Subsequent in vitro experiments showed that, in microglia stimulated with lipopolysaccharide, inhibiting SHP2 expression promoted M2 polarization and inhibited M1 polarization. Finally, a co-culture experiment was conducted to assess the effect of microglia treated with SHP2 inhibitors on neuronal cells. The results demonstrated that inflammatory factors produced by microglia promoted neuronal apoptosis, while inhibiting SHP2 expression mitigated these effects. Collectively, our findings suggest that SHP2 enhances secondary inflammation and neuronal damage subsequent to spinal cord injury by modulating microglial phenotype. Therefore, inhibiting SHP2 alleviates the inflammatory response in mice with spinal cord injury and promotes functional recovery postinjury.

关键词： apoptosis glycolysis inflammatory response microglia neurons polarization spinal cord injury Src homology 2-containing protein tyrosine phosphatase 2

5-N-Methylated Quindoline Derivatives as G-Quadruplex Stabilizing Ligands and Potential Inhibitors of Telomerase

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5-N-Methylated Quindoline Derivatives as G-Quadruplex Stabil...

第五届全国化学生物学学术会议

作者： Yu-Jing Lu Tian-Miao Ou Ning Sun jia-heng tan Zhi-Shu Huang~* Lian-Quan Gu~* School of Pharmaceutical Sciences,Sun Yat-sen University,Guangzhou 510275,China

＜正＞A series of 5-N-methylated quindoline derivatives were designed and synthesized to develop potent telomerase *** interaction of these compounds with human telomeric G-quadruplex DNA was investigated via PCR-stop *** compounds as inhibitors of telomerase were also examined through the utilization of modified telomerase repeat amplification

关键词： 5-N-methylated quindoline synthesis telomeric G-quadruplex DNA telomerase inhibitor

Understanding the local structure and thermophysical behavior of Mg-La liquid alloys via machine learning potential

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 439-449页

作者： jia Zhao Taixi Feng Guimin Lu National Engineering Research Center for Integrated Utilization of Salt Lake Resource East China University of Science and TechnologyShanghai 200237China Joint International Laboratory for Potassium and Lithium Strategic Resources East China University of Science and TechnologyShanghai 200237China

The local structure and thermophysical behavior of Mg-La liquid alloys were in-depth understood using deep potential molecular dynamic(DPMD) simulation driven via machine learning to promote the development of Mg-La alloys. The robustness of the trained deep potential(DP) model was thoroughly evaluated through several aspects, including root-mean-square errors(RMSEs), energy and force data, and structural information comparison results;the results indicate the carefully trained DP model is reliable. The component and temperature dependence of the local structure in the Mg-La liquid alloy was analyzed. The effect of Mg content in the system on the first coordination shell of the atomic pairs is the same as that of temperature. The pre-peak demonstrated in the structure factor indicates the presence of a medium-range ordered structure in the Mg-La liquid alloy, which is particularly pronounced in the 80at% Mg system and disappears at elevated temperatures. The density, self-diffusion coefficient, and shear viscosity for the Mg-La liquid alloy were predicted via DPMD simulation, the evolution patterns with Mg content and temperature were subsequently discussed, and a database was established accordingly. Finally, the mixing enthalpy and elemental activity of the Mg-La liquid alloy at 1200 K were reliably evaluated,which provides new guidance for related studies.

关键词： magnesium-lanthanum liquid alloys local structure macroscopic properties thermodynamic behavior deep potential mo-lecular dynamic simulation

Molecular Dynamics Simulation of a Ligand Binding to G-Quadruplex with Different Binding modes

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Molecular Dynamics Simulation of a Ligand Binding to G-Quadr...

2011年全国药物化学学术会议——药物的源头创新

作者： Jin-Qiang Hou,Shuo-Bin Chen,jia-heng tan,Tian-Miao Ou,Lian-Quan Gu and Zhi-Shu Huang~* School of Pharmaceutical Sciences,Sun Yat-sen University,Guangzhou,510006,People''s Republic of China.

＜正＞G-quadruplexes are higher-order DNA ＆ RNA structures formed from guanine-rich sequences and have recently emerged as a new class of potential molecular targets for anticancer drugs. Understanding the three-dimensional interactions between small-molecule ligands and their G-quadruplex targets in solution is the key for rational drug design and effective G-quadruplex ligand *** ligand design efforts have to date focused in large part on the G-quartet ***,ligands binding to the loop nucleotides were also observed from crystallography *** is still unclear that whether ligand could stably bind to loop nucleotides in solution states and how ligands in such binding mode impact on the stability of G-quadruplex ***,we also aim to elucidate how ligands in distinct binding modes influence the G-quadruplex ***,from crystal structure,different ligand-binding models were built and simulated by molecular dynamics *** on a series of computational analyses, the results suggested that ligand binding to the loop was viable in aqueous solution,which was depended on the particular rearrangement of *** ligands binding to the loops had negative impact on the G-quadruplex stability,whereas the ligands binding to the G-quartets had positive impact on the G-quadruplex ***,the ligands simultaneously binding to the quartets and loops had the best stabilizations effect on the G-quadruplex *** findings can help to understand the structural role of ligands with different binding modes in G-quadruplex stability and assist in the design of selective and effective G-quadruplex ligands.

关键词： Molecular dynamics simulation G-Quadruplex G-quartet Naphthalene diimide derivative

Discovery of Novel Anti-tumour Agents for Specific Recognizing the G-quadruplex in 5'-Untranslated Region of Human Vascular Endothelial Growth Factor(hVEGF)

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Discovery of Novel Anti-tumour Agents for Specific Recognizi...

第九届全国核糖核酸学术讨论会

作者：王世珂 Yue Wu Xiao-Qin Wang Guo-Tao Kuang Qi Zhang Giulia Biffi Shu-Ling Lin Hui-Yun Liu jia-heng tan Zhi-Shu Huang Lian-Quan Gu Tian-Miao Ou 中山大学药学院 School of Pharmacy Guangdong Medical College Cancer Research UK Cambridge Institute University of CambridgeLi Ka Shing Centre

Angiogenesis is important in tumorigenesis and tumor *** vascular endothelial growth factor(h VEGF)is an angiogenic growth factor that plays a crucial role in tumor *** G-rich region within the 5’-untranslated region(5’-UTR)of h VEGF m RNA can form a‘switchable’RNA G-quadruplex structure that is essential for a cap-independent translation *** firstly screen our small-molecule library for binders of this *** a result,a novel quinazoline derivative compound 1shows a significant specific interaction with the G-tract and destabilizes the Gquadruplex *** experiments results reveal that compound 1 downregulates h VEGF translation,and significantly impedes tumor cells *** also find thatcompound1exhibitsan obvious tumor inhibiting activity in MCF-7 xenograft tumors,which may relate with its ability to reduce h VEGF *** findings provide a new way of h VEGF translational control through interacting with Gquadruplex structure in the 5’UTRby small molecules.

关键词： VEGF translational regulation G-quadruplex quinazoline derivative antitumor

Silk damping in scalar-induced gravitational waves: a novel probe for new physics

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Science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 79-85页

作者： Yan-heng Yu Sai Wang Theoretical Physics Division Institute of High Energy Physics Chinese Academy of Sciences School of Physics University of Chinese Academy of Sciences

Silk damping is well known in the study of cosmic microwave background（CMB） and accounts for suppression of the angular power spectrum of CMB on large angular multipoles. In this article, we study the effect of Silk damping on the scalar-induced gravitational waves（SIGWs）. Resulting from the dissipation of cosmic fluid, the Silk damping notably suppresses the energydensity spectrum of SIGWs on scales comparable to a diffusion scale at the decoupling time of weakly-interacting particles. The effect offers a novel observable for probing the underlying particle interaction, especially for those mediated by heavy gauge bosons beyond the standard model of particles. We anticipate that pulsar timing arrays are sensitive to gauge bosons with mass ～10～3-10～4 GeV, while space-and ground-based interferometers to those with mass ～10～7-1012GeV, leading to essential complements to on-going and future experiments of high-energy physics.

关键词： scalar-induced gravitational waves Silk damping new physics

Role of iron ore in enhancing gasification of iron coke:Structural evolution,influence mechanism and kinetic analysis

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International Journal of Minerals,Metallurgy and Materials 2025年第1期32卷 58-69页

作者： Jie Wang Wei Wang Xuheng Chen Junfang Bao Qiuyue Hao heng Zheng Runsheng Xu School of Chemistry and Materials Science Hubei Engineering UniversityXiaogan 432000China Key Laboratory for Ferrous Metallurgy and Resources Utilization of Ministry of Education Wuhan University of Science and TechnologyWuhan 430081China Institue of Ironmaking Technology Baosteel Central Research InstituteShanghai 201999China State Key Laboratory of Advanced Metallurgy University of Science and Technology BeijingBeijing 100083China

The utilization of iron coke provides a green pathway for low-carbon *** uncover the influence mechanism of iron ore on the behavior and kinetics of iron coke gasification,the effect of iron ore on the microstructure of iron coke was ***,a comparative study of the gasification reactions between iron coke and coke was conducted through non-isothermal thermogravimetric *** findings indicate that compared to coke,iron coke exhibits an augmentation in micropores and specific surface area,and the micropores further extend and *** provides more adsorption sites for CO_(2) molecules during the gasification process,resulting in a reduction in the initial gasification temperature of iron *** the heating rate in non-isothermal gasification can enhance the reactivity of iron *** metallic iron reduced from iron ore is embedded in the carbon matrix,reducing the orderliness of the carbon structure,which is primarily responsible for the heightened reactivity of the carbon *** kinetic study indicates that the random pore model can effectively represent the gasification process of iron coke due to its rich pore ***,as the proportion of iron ore increases,the activation energy for the carbon gasification gradually decreases,from 246.2 kJ/mol for coke to 192.5 kJ/mol for iron coke 15wt%.

关键词： low-carbon ironmaking iron coke gasification structural evolution kinetic model

Rational design of novel fusion dyes:specific indicators for G-quadruplex nucleic acids

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Rational design of novel fusion dyes:specific indicators for...

2011年全国药物化学学术会议——药物的源头创新

作者： Jin-Wu Yan,Wen-Jie Ye,Shuo-Bin Chen,Wei-Bin Wu,Jin-Qiang Hou,jia-heng tan~*,Tian-Miao Ou, Lian-Quan Gu,Zhi-Shu Huang School of Pharmaceutical Sciences,Sun Yat-Sen University,Guangzhou 510006,People''s Republic of China

＜正＞G-quadruplexes are unique secondary structures formed by G-rich nucleic acid sequences in many pivotal genomic regions and receiving a great deal of attention as uncovering their important biological *** years,m...

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