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Reaction Mechanism of Actin ATP Hydrolysis Studied by QM/MM Calculations

Chemical Research in Chinese Universities 2024年第5期40卷 849-855页

作者： WANG Yiwen LIN Lirui XU Li-Yan LI En-Min DONG Geng Department of Biochemistry and Molecular Biology Shantou University Medical CollegeShantou515041P.R.China Department of Bioinformatics Shantou University Medical CollegeShantou515041P.R.China medical Informatics Research Center Shantou University Medical CollegeShantou515041P.R.China Key Laboratory of Molecular Biology in High Cancer Incidence Coastal Area of Guangdong Higher Education Institutes Shantou University Medical CollegeShantou515041P.R.China Cancer Research Center Shantou University Medical CollegeShantou515041P.R.China Guangdong Provincial Key Laboratory of Infectious Diseases and Molecular Immunopathology Shantou University Medical CollegeShantou515041P.R.China

Actin fibers are an important part of the cytoskeleton,providing vital support for the plasma *** function is driven by its ATPase(ATP:adenosine triphosphate)activity,i.e.,ATP+H_(2)O→ADP+*** seemingly simple reaction has attracted much attention because the hydrolysis of ATP provides energy to support life ***,the reaction mechanism of ATP hydrolysis in actin is not *** order to gain deep insights into the functions of actin,it is essential to elucidate the reaction mechanism of the actin ATP *** this paper,we have studied the reaction mechanism of the ATP hydrolysis in actin by the combined quantum mechanical and molecular mechanics(QM/MM)*** results show that 1)bond cleavage of the Pγ—OS of ATP and bond formation between oxygen of the lytic water and Pγatoms take place simultaneously,and this is the rate-limiting step of the hydrolysis;2)the proton on the lytic water transfers to the phosphate to form H_(2)P_(γ)O_(4)−via one bridge *** energy barrier of the complete reaction is 17.6 kcal/mol(1 kcal=4.184 kJ),which is in high agreement with the experimental value.

关键词： Actin Adenosine triphosphate(ATP)hydrolysis Quantum mechanical and molecular mechanics(QM/MM) Reaction mechanism

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Advances in extracellular vesicle-based combination therapies for spinal cord injury

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Neural Regeneration Research 2024年第2期19卷 369-374页

作者： Tingting Wang Guohao Huang Zhiheng Yi Sihan Dai Weiduan Zhuang Shaowei Guo Department of Neurology The First Affiliated Hospital of Shantou University Medical CollegeShantouGuangdong ProvinceChina Department of Biomedical Engineering Shantou UniversityShantouGuangdong ProvinceChina

Spinal cord injury is a severe insult to the central nervous system that causes persisting neurological *** currently available treatments involve surgical,medical,and rehabilitative ***,none of these techniques can markedly reverse neurological ***,extracellular vesicles from various cell sources have been applied to different models of spinal cord injury,thereby generating new cell-free therapies for the treatment of spinal cord ***,the use of extracellular vesicles alone is still associated with some notable shortcomings,such as their uncertainty in targeting damaged spinal cord tissues and inability to provide structural support to damaged ***,this paper reviews the latest combined strategies for the use of extracellular vesicle-based technology for spinal cord injury,including the combination of extracellular vesicles with nanoparticles,exogenous drugs and/or biological scaffold materials,which facilitate the targeting ability of extracellular vesicles and the combinatorial effects with extracellular *** also highlight issues relating to the clinical transformation of these extracellular vesicle-based combination strategies for the treatment of spinal cord injury.

关键词： biomaterials combination therapy drug delivery exosomes extracellular vesicles functional recovery hydrogels scaffolds spinal cord injury tissue engineering

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Ionic liquids as the effective technology for enhancing transdermal drug delivery: Design principles, roles, mechanisms, and future challenges

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Asian Journal of Pharmaceutical Sciences 2024年第2期19卷 38-51页

作者： Xuejun Chen Ziqing Li Chunrong Yang Degong Yang Department of Pharmacy Shantou University Medical CollegeShantou 515041China Guangdong Provincial Key Laboratory of Infectious Diseases and Molecular Immunopathology Shantou University Medical CollegeShantou 515041China

Ionic liquids (ILs) have been proven to be an effective technology for enhancing drug transdermal absorption. However, due to the unique structural components of ILs, the design of efficient ILs and elucidation of action mechanisms remain to be explored. In this review, basic design principles of ideal ILs for transdermal drug delivery system (TDDS) are discussed considering melting point, skin permeability, and toxicity, which depend on the molar ratios, types, functional groups of ions and inter-ionic interactions. Secondly, the contributions of ILs to the development of TDDS through different roles are described: as novel skin penetration enhancers for enhancing transdermal absorption of drugs;as novel solvents for improving the solubility of drugs in carriers;as novel active pharmaceutical ingredients (API-ILs) for regulating skin permeability, solubility, release, and pharmacokinetic behaviors of drugs;and as novel polymers for the development of smart medical materials. Moreover, diverse action mechanisms, mainly including the interactions among ILs, drugs, polymers, and skin components, are summarized. Finally, future challenges related to ILs are discussed, including underlying quantitative structure-activity relationships, complex interaction forces between anions, drugs, polymers and skin microenvironment, long-term stability, and in vivo safety issues. In summary, this article will promote the development of TDDS based on ILs.

关键词： Transdermal drug delivery system Ionic liquid Quantitative structure-activity relationship Intermolecular interaction

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Antiviral treatment standards for hepatitis B:An urgent need for expansion

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World Journal of Gastroenterology 2024年第4期30卷 418-420页

作者： Zi-Hong Bao Zhi-Kun Dai Hao-Xian Tang Department of Infectious Diseases The First Affiliated Hospital of Shantou University Medical CollegeShantou 515041Guangdong ProvinceChina medical College Shantou University Medical CollegeShantou 515041Guangdong ProvinceChina Department of Cardiology The First Affiliated Hospital of Shantou University Medical CollegeShantou 515041Guangdong ProvinceChina

The present letter to the editor is related to the review with the title“Past,present,and future of long-term treatment for hepatitis B virus.”Chronic hepatitis B(CHB)represents an important and pressing public health *** identification and effective antiviral therapy hold the potential to reduce liver-related mortality attributable to chronic infection with hepatitis B virus(HBV)***,the current global treatment rates for CHB remain conspicuously low,with the excessively stringent treatment criteria advocated by national CHB guidelines being a contributing factor to these low ***,recent strides in comprehending this malady and the emergence of novel antiviral agents prompt the imperative re-evaluation of treatment standards to extend the sphere of potential *** impending need arises for a novel paradigm for the classification of patients with CHB,the expansion of antiviral treatment eligibility for HBV-infected individuals,and even the streamlining of the diagnostic process for CHB to amplify cost-effectiveness and augment survival prospects.

关键词： Hepatitis B virus Chronic hepatitis B Antiviral treatment criteria Serum alanine aminotransferase Liver-related mortality Letter to the Editor

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Body composition and metabolic syndrome in patients with type 1 diabetes

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World Journal of Diabetes 2024年第1期15卷 81-91页

作者： Qiong Zeng Xiao-Jing Chen Yi-Ting He Ze-Ming Ma Yi-Xi Wu Kun Lin Department of Neurology The First Affiliated Hospital of Shantou University Medical CollegeShantou 515041Guangdong ProvinceChina medical College Shantou University Medical CollegeShantou 515041Guangdong ProvinceChina Department of Endocrinology The First Affiliated Hospital of Shantou University Medical CollegeShantou 515041Guangdong ProvinceChina

BACKGROUND In recent years,the prevalence of obesity and metabolic syndrome in type 1 diabetes(T1DM)patients has gradually *** resistance in T1DM deserves *** is necessary to clarify the relationship between body composition,metabolic syndrome and insulin resistance in T1DM to guide clinical treatment and *** To assess body composition(BC)in T1DM patients and evaluate the relationship between BC,metabolic syndrome(MS),and insulin resistance in these *** A total of 101 subjects with T1DM,aged 10 years or older,and with a disease duration of over 1 year were *** impedance analysis using the Tsinghua-Tongfang BC Analyzer BCA-1B was employed to measure various BC *** and laboratory data were collected,and insulin resistance was calculated using the estimated glucose disposal rate(eGDR).RESULTS MS was diagnosed in 16/101 patients(15.84%),overweight in 16/101 patients(15.84%),obesity in 4/101(3.96%),hypertension in 34/101(33.66%%)and dyslip-idemia in 16/101 patients(15.84%).Visceral fat index(VFI)and trunk fat mass were significantly and negatively correlated with eGDR(both P<0.001).Female patients exhibited higher body fat percentage and visceral fat ratio compared to male *** logistic regression analysis revealed that significant factors for MS included eGDR[P=0.017,odds ratio(OR)=0.109],VFI(P=0.030,OR=3.529),and a family history of diabetes(P=0.004,OR=0.228).Significant factors for hypertension included eGDR(P<0.001,OR=0.488)and skeletal muscle mass(P=0.003,OR=1.111).Significant factors for dyslipidemia included trunk fat mass(P=0.033,OR=1.202)and eGDR(P=0.037,OR=0.708).CONCLUSION Visceral fat was found to be a superior predictor of MS compared to conventional measures such as body mass index and waist-to-hip ratio in Chinese individuals with *** analysis,specifically identifying visceral fat(trunk fat),may play an important role in identifying the increased risk of

关键词： Body composition Metabolic syndrome Insulin resistance Visceral fat Estimated glucose disposal rate

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Small nucleolar RNA and its potential role in the oncogenesis and development of colorectal cancer

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World Journal of Gastroenterology 2024年第2期30卷 115-127页

作者： Yang-Zheng Lan Zheng Wu Wen-Jia Chen Ze-Xuan Fang Xin-Ning Yu Hua-Tao Wu Jing Liu The Breast Center Cancer Hospital of Shantou University Medical CollegeShantou 515041Guangdong ProvinceChina Department of General Surgery The First Affiliated Hospital of Shantou University Medical CollegeShantou 515041Guangdong ProvinceChina

Small nucleolar RNAs(snoRNAs)represent a class of non-coding RNAs that play pivotal roles in post-transcriptional RNA processing and modification,thereby contributing significantly to the maintenance of cellular functions related to protein *** have been discovered to possess the ability to influence cell fate and alter disease progression,holding immense potential in controlling human *** is suggested that the dysregulation of snoRNAs in cancer exhibits differential expression across various cancer types,stages,metastasis,treatment response and/or prognosis in *** the other hand,colorectal cancer(CRC),a prevalent malignancy of the digestive system,is characterized by high incidence and mortality rates,ranking as the third most common cancer *** research indicates that snoRNA dysregulation is associated with CRC,as snoRNA expression significantly differs between normal and cancerous ***,assessing snoRNA expression level and function holds promise for the prognosis and diagnosis of ***,current comprehension of the potential roles of snoRNAs in CRC remains *** review offers a comprehensive survey of the aberrant regulation of snoRNAs in CRC,providing valuable insights into the discovery of novel biomarkers,therapeutic targets,and potential tools for the diagnosis and treatment of CRC and furnishing critical cues for advancing research into CRC and the judicious selection of therapeutic targets.

关键词： Small nucleolar RNAs Colorectal cancer Dysregulation Biomarker

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RIOK1 synergizes with TRIP13 by regulating the E2F-Rb signaling pathway to promote the proliferation of esophageal cancer cells

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Genes & Diseases 2024年第3期11卷 55-58页

作者： Chengyu Li Deyuan Pan Wan Lin Danxia Deng Yingxin Zhou Hui Zhao Feng Pan Liyan Xu Enmin Li Lin Long The Key Laboratory of Molecular Biology for High Cancer Incidence Coastal Chaoshan Area Department of Biochemistry and Molecular BiologyShantou University Medical CollegeShantouGuangdong 515041China Guangdong Provincial Key Laboratory of Infectious Diseases and Molecular Immunopathology Institute of Oncologic PathologyShantou University Medical CollegeShantouGuangdong 515041China Institute of Basic medical Science Cancer Research CenterShantou University Medical CollegeShantouGuangdong 515041China Clinical Research Center Shantou Central HospitalShantouGuangdong 515041China

Esophageal cancer is one of the leading causes of cancer death in the world,with approximately half of the new cases occurring in China every year.^(1)Esophageal squamous cell carcinoma(ESCC)is the main subtype,accounting for more than 90%,and the five-year survival rate is less than 10%.Using large-scale genome analysis,many driver mutations and key pathways associated with ESCC have been ***,these genomic signatures have not improved the clinical management of EscC patients,or established effective targeted therapy.^(2)Esophageal cancer still lacks representative molecular markers.

关键词： cancer esophageal Esophageal

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Casein kinase-2 inhibition promotes retinal ganglion cell survival after acute intraocular pressure elevation

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Neural Regeneration Research 2024年第5期19卷 1112-1118页

作者： Meng Wang Shi-Qi Yao Yao Huang Jia-Jian Liang Yanxuan Xu Shaowan Chen Yuhang Wang Tsz Kin Ng Wai Kit Chu Qi Cui Ling-Ping Cen Joint shantou International Eye Center of shantou university and The Chinese university of Hong Kong ShantouGuangdong ProvinceChina shantou university medical College ShantouGuangdong ProvinceChina Beijing Tongren Eye Center Beijing Tongren HospitalCapital Medical UniversityBeijingChina Department of Ophthalmology and Visual Sciences The Chinese University of Hong KongHong Kong Special Administrative RegionChina

Intraocular pressure elevation can induce retinal ganglion cell death and is a clinically reversible risk factor for glaucoma,the leading cause of irreversible *** previously demonstrated that casein kinase-2 inhibition can promote retinal ganglion cell survival and axonal regeneration in rats after optic nerve *** investigate the underlying mechanism,in the current study we increased the intraocular pressure of adult rats to 75 mmHg for 2 hours and then administered a casein kinase-2 inhibitor(4,5,6,7-tetrabromo-2-azabenzimidazole or 2-dimethylamino-4,5,6,7-tetrabromo-1H-benzimidazole)by intravitreal *** found that intravitreal injection of 4,5,6,7-tetrabromo-2-azabenzimidazole or 2-dimethylamino-4,5,6,7-tetrabromo-1H-benzimidazole promoted retinal ganglion cell survival and reduced the number of infiltrating *** analysis showed that the mitogen activated protein kinase signaling pathway was involved in the response to intraocular pressure elevation but was not modulated by the casein kinase-2 ***,casein kinase-2 inhibition downregulated the expression of genes(Cck,Htrsa,Nef1,Htrlb,Prph,Chat,Slc18a3,Slc5a7,Scn1b,Crybb2,Tsga10ip,and Vstm21)involved in intraocular pressure *** data indicate that inhibition of casein kinase-2 can enhance retinal ganglion cell survival in rats after acute intraocular pressure elevation via macrophage inactivation.

关键词： casein kinase-2 glaucoma intraocular pressure elevation macrophages retinal ganglion cells

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PRODUCT TYPE OPERATORS ACTING BETWEEN WEIGHTED BERGMAN SPACES AND BLOCH TYPE SPACES

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Acta Mathematica Scientia 2024年第4期44卷 1327-1336页

作者： Zuoling LIU Hasi WULAN Department of Mathematics Shantou UniversityShantou 515063China

For analytic functions u,ψin the unit disk D in the complex plane and an analytic self-mapφof D,we describe in this paper the boundedness and compactness of product type operators T_(u,ψ,φ)f(z)=u(z)f(φ(z))+ψ(z)f'(φ(z)),z∈D,acting between weighted Bergman spaces induced by a doubling weight and a Bloch type space with a radial weight.

关键词： compactness boundedness Bloch type space product type operator weighted Bergman space

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Relationship between dietary niacin intake and erectile dysfunction:a population-based study

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Asian Journal of Andrology 2024年第4期26卷 382-388页

作者： Wei-Long Lin Cheng Zheng Hao-Xu Wang Wei Zhang Ming-En Lin Department of Urology The First Affiliated Hospital of Shantou University Medical CollegeMedical College of Shantou UniversityShantou 515041China The Second School of Clinical Medicine Southern Medical UniversityGuangzhou 510260China.

Existing research on the precise link between dietary niacin intake and erectile dysfunction(ED)is ***,this study aimed to investigate the potential association between dietary niacin intake and the risk of *** logistic regression and restricted cubic splines(RCSs)were used to examine the relationship between dietary niacin intake and *** interaction analysis was performed to assess the impact of different subgroups on the study *** addition,1:1 propensity score matching(PSM)was employed to adjust for potential confounding factors,ensuring the reliability of the *** analyzed data were collected from the 2001–2004 National Health and Nutrition Examination Survey(NHANES)in the *** study encompassed 3184 adults,among whom 863 participants were identified as having *** adjustments for potential confounders,the findings revealed that higher niacin intake,specifically in the highest tertile,was associated with a decreased risk of ED compared to that in the lowest tertile,showing an odds ratio(OR)of 0.56(95%confidence interval[CI]:0.37–0.85).Analysis of dose–response curves illustrated a negative correlation between dietary niacin intake and the risk of *** and interaction analyses fortified the consistency of these ***,PSM corroborated the validity of the *** study suggests an inverse association between dietary niacin intake and the risk of ***,establishing a cause-and-effect relationship remains elusive,and defining the safe threshold of niacin intake to prevent ED requires further investigation.

关键词： dietary niacin erectile dysfunction National Health and Nutrition Examination Survey propensity score matching

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