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drug repositioning of disulfiram induces endometrioid epithelial ovarian cancer cell death via the both apoptosis and cuproptosis pathways

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Oncology Research 2023年第3期31卷 333-343页

作者： YAPING GAN TING LIU WEIFENG FENG LIANG WANG LI LI YINGXIA NING Department of Gynaecology and Obstetrics The First Affiliated Hospital of Jinan UniversityGuangzhouChina Department of Gynaecology and Obstetrics The First Affiliated Hospital of Guangzhou Medical UniversityGuangzhouChina Department of Anesthesiology Ruijin HospitalShanghai Jiao Tong University School of MedicineShanghaiChina Guangdong Guojian Pharmaceutical Consulting Co. Ltd.GuangzhouChina Department of Galactophore Surgery The Second Affiliated Hospital of Nanchang UniversityNanchangChina

Various therapeutic strategies have been developed to overcome ovarian ***,the prognoses resulting from these strategies are still *** the present work,we screened 54 small molecule compounds approved by the FDA to identify novel agents that could inhibit the viability of human epithelial ovarian cancer *** these,we identified disulfiram(DSF),an old alcohol-abuse drug,as a potential inducer of cell death in ovarian ***,DSF treatment significantly reduced the expression of the anti-apoptosis marker Bcell lymphoma/leukemia-2(Bcl-2)and increase the expression of the apoptotic molecules Bcl2 associated X(Bax)and cleaved caspase-3 to promote human epithelial ovarian cancer cell ***,DSF is a newly identified effective copper ionophore,thus the combination of DSF and copper was used to reduce ovarian cancer viability than DSF single *** treatment with DSF and copper also led to the reduced expression of ferredoxin 1 and loss of Fe-S cluster proteins(biomarkers of cuproptosis).In vivo,DSF and copper gluconate significantly decreased the tumor volume and increased the survival rate in a murine ovarian cancer xenograft ***,the role of DSF revealed its potential for used as a viable therapeutic agent for the ovarian cancer.

关键词： Ovarian cancer drug repositioning Disulfiram Apoptosis Cuproptosis

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NOGEA: A Network-oriented Gene Entropy Approach for Dissecting Disease Comorbidity and drug repositioning

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Genomics, Proteomics & Bioinformatics 2021年第4期19卷 549-564页

作者： Zihu Guo Yingxue Fu Chao Huang Chunli Zheng Ziyin Wu Xuetong Chen Shuo Gao Yaohua Ma Mohamed Shahen Yan Li Pengfei Tu Jingbo Zhu Zhenzhong Wang Wei Xiao Yonghua Wang College of Life Science Northwest UniversityXi'an 710069China College of Life Science Northwest A&F UniversityYangling 712100China Zoology Department Faculty of ScienceTanta UniversityTanta 31527Egypt Key Laboratory of Industrial Ecology and Environmental Engineering(Ministry of Education) Faculty of ChemicalEnvironmental and Biological Science and TechnologyDalian University of TechnologyDalian 116024China State Key Laboratory of Natural and Biomimetic drugs School of Pharmaceutical SciencesPeking UniversityBeijing 100191China School of Food Science and Technology Dalian Polytechnic UniversityDalian 116034China State Key Laboratory of New-tech for Chinese Medicine Pharmaceutical Process Lianyungang 222001China

Rapid development of high-throughput technologies has permitted the identification of an increasing number of disease-associated genes(DAGs),which are important for understanding disease initiation and developing precision ***,DAGs often contain large amounts of redundant or false positive information,leading to difficulties in quantifying and prioritizing potential relationships between these DAGs and human *** this study,a networkoriented gene entropy approach(NOGEA)is proposed for accurately inferring master genes that contribute to specific diseases by quantitatively calculating their perturbation abilities on directed disease-specific gene *** addition,we confirmed that the master genes identified by NOGEA have a high reliability for predicting disease-specific initiation events and progression *** genes may also be used to extract the underlying information of different diseases,thus revealing mechanisms of disease *** importantly,approved therapeutic targets are topologically localized in a small neighborhood of master genes in the interactome network,which provides a new way for predicting drug-disease *** this method,11 old drugs were newly identified and predicted to be effective for treating pancreatic cancer and then validated by in vitro ***,the NOGEA was useful for identifying master genes that control disease initiation and co-occurrence,thus providing a valuable strategy for drug efficacy screening and *** codes are publicly available at https://***/guozihuaa/NOGEA.

关键词： Systems pharmacology Gene entropy Disease gene network Disease comorbidity drug repositioning

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Identification of anthelmintic parbendazole as a therapeutic molecule for HNSCC through connectivity map-based drug repositioning

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Acta Pharmaceutica Sinica B 2022年第5期12卷 2429-2442页

作者： Dong Liang Chen Yu Zhao Ma Xingye Yang Zhenzhen Li Xuhui Dong Xiaojun Qin Lupei Du Minyong Li Key Laboratory of Chemical Biology(MOE) School of Pharmaceutical SciencesCheeloo College of MedicineShandong UniversityJinan 250012China

Head and neck squamous cell carcinoma(HNSCC) is one of the most common human cancers;however, its outcome of pharmacotherapy is always very limited. Herein, we performed a batch query in the connectivity map(cMap) based on bioinformatics, queried out 35 compounds with therapeutic potential, and screened out parbendazole as a most promising compound, which had an excellent inhibitory effect on the proliferation of HNSCC cell lines. In addition, tubulin was identified as a primary target of parbendazole, and the direct binding between them was further verified. Parbendazole was further proved as an effective tubulin polymerization inhibitor, which can block the cell cycle, cause apoptosis and prevent cell migration, and it exhibited reasonable therapeutic effect and low toxicity in the in vivo and in vitro anti-tumor evaluation. Our study repositioned an anthelmintic parbendazole to treat HNSCC, which revealed a therapeutic utility and provided a new treatment option for human cancers.

关键词： HNSCC cMap Bioinformatics Parbendazole drug repositioning Anti-tumor

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PIMD:An Integrative Approach for drug repositioning Using Multiple Characterization Fusion

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Genomics, Proteomics & Bioinformatics 2020年第5期18卷 565-581页

作者： Song He Yuqi Wen Xiaoxi Yang Zhen Liu Xinyu Song Xin Huang Xiaochen Bo Department of Biotechnology Beijing Institute of Radiation MedicineBeijing 100850China

The accumulation of various types of drug informatics data and computational approaches for drug repositioning can accelerate pharmaceutical research and ***,the integration of multi-dimensional drug data for precision repositioning remains a pressing ***,we propose a systematic framework named PIMD to predict drug therapeutic properties by integrating multi-dimensional data for drug *** PIMD,drug similarity networks(DSNs)based on chemical,pharmacological,and clinical data are fused into an integrated DSN(iDSN)composed of many *** than simple fusion,PIMD offers a systematic way to annotate *** drugs within clusters and drug pairs with a high iDSN similarity score are therefore identified to predict novel therapeutic *** provides new insights into the universality,individuality,and complementarity of different drug properties by evaluating the contribution of each property *** test the performance of PIMD,we use chemical,pharmacological,and clinical properties to generate an *** of the contributions of each drug property indicate that this iDSN was driven by all data types and performs better than other *** the top 20 recommended drug pairs,7 drugs have been reported to be *** source code for PIMD is available at https://***/Sepstar/PIMD/.

关键词： drug repositioning drug similarity network Multiple characterization fusion Network pharmacology drug discovery

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Systems-level biomarkers identification and drug repositioning in colorectal cancer

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World Journal of Gastrointestinal Oncology 2021年第7期13卷 638-661页

作者： Hande Beklen Esra Yildirim Medi Kori Beste Turanli Kazim Yalcin Arga Department of Bioengineering Marmara UniversityIstanbul 34722Turkey

Colorectal cancer(CRC)is the most commonly diagnosed fatal cancer in both women and men *** ranked second in mortality and third in incidence in *** is difficult to diagnose CRC at an early stage as there are no clinical *** advances in molecular biology,only a limited number of biomarkers have been translated into routine clinical practice to predict risk,prognosis and response to *** the last decades,systems biology approaches at the omics level have gained *** the years,several biomarkers for CRC have been discovered in terms of disease diagnosis and *** the other hand,a few drugs are being developed and used in clinics for the treatment of ***,the development of new drugs is very costly and time-consuming as the research and development takes about 10 years and more than$1 ***,drug repositioning(DR)could save time and money by establishing new indications for existing *** this review,we aim to provide an overview of biomarkers for the diagnosis and prognosis of CRC from the systems biology perspective and insights into DR approaches for the prevention or treatment of CRC.

关键词： Colorectal cancer Colon cancer Systems biology Biomarker drug repositioning Omics

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Converging multi-modality datasets to build efficient drug repositioning pipelines against Alzheimer’s disease and related dementias

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Medical Review 2022年第1期2卷 110-113页

作者： Zheng Yin Stephen T.C.Wong Department of Systems Medicine and Bioengineering Houston Methodist Cancer Center and Ting Tsung&Wei Fong Chao Center for BRAINHouston Methodist Research InstituteWeill Cornell MedicineHouston 77030TXUSA

Alzheimer’s disease and related dementias(AD/ADRD)affects more than 50 million people worldwide but there is no clear therapeutic option affordable for the general patient ***,drug repositioning studies featuring collaborations between academic institutes,medical centers,and hospitals are generating novel therapeutics candidates against these devastating diseases and filling in an important area for healthcare that is poorly represented by pharmaceutical *** drug repositioning studies converge expertise from bioinformatics,chemical informatics,medical informatics,artificial intelligence,high throughput and high-content screening and systems *** also take advantage of multi-scale,multi-modality datasets,ranging from transcriptomic and proteomic data,electronical medical records,and medical imaging to social media information of patient behaviors and emotions and epidemiology profiles of disease populations,in order to gain comprehensive understanding of disease mechanisms and drug *** proposed a recursive drug repositioning paradigm involving the iteration of three processing steps of modeling,prediction,and validation to identify known drugs and bioactive compounds for AD/*** recursive paradigm has the potential of quickly obtaining a panel of robust novel drug candidates for AD/ADRD and gaining in-depth understanding of disease mechanisms from those repositioned drug candidates,subsequently improving the success rate of predicting novel hits.

关键词： Alzheimer’s disease drug repositioning modeling multi-omics prediction systems biology validation.

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Novel network pharmacology methods for drug mechanism of action identification,pre-clinical drug screening and drug repositioning

Novel network pharmacology methods for drug mechanism of act...

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中国药理学会第十一次全国学术会议

作者： Simon RAYNER Bioinformatics Group State Key Laboratory of VirologyWuhan Institute of VirologyChinese Academy of Sciences

The high rates of failure in oncology drug clinical trials highlight the problems of using pre-clinical data to predict the clinical effects of *** we present two methodology innovations on network pharmacology modeling.(1) We hypothesize that the gene network associated with cancer outcome in heterogeneous patient populations could serve as a reference for identifying drug effects. We proposed a novel in vivo genetic interaction between genes as synergistic outcome determination’,in a similar way to synthetic lethality’ We scanned above genetic interactions based on microarray profiling for cancer prognosis,and identified a cluster of important yet epigenetically regulated gene *** projecting drug sensitivity-associated genes on to this network,we could define a perturbation index for each drug based upon its characteristic perturbation ***,by using this index,we significantly discriminated successful drugs from the candidate pool,and revealed the mechanisms of drug ***,the prognosis-guided synergistic gene-gene interaction networks could serve as an efficient in silico tool for pre-clinical drug prioritization and rational design of combinatorial *** of this work was published,and we will present new results on this project.(2) MicroRNAs(miRNAs) play a key role in the regulation of the transcriptome and have been identified as a key mediator in human disease and drug *** introduced a novel concept,the Context-specific MiRNA activity(CoMi activity),to reflect a miRNA’s regulation effect on a context specific gene *** breast cancer as an example,we examined the CoMi activity based on a Gene Ontology(GO) term as context. Interestingly,we found that chemotherapeutic drug treatment can counteract the dis-regulated CoMi activity in the cancer-specific network. For instance,100%of down-regulated CoMi activities in a "core" breast cancer network contains apoptosis-related GO terms that could be counteracted

关键词： network pharmacology microRNA in silico drug screening network biology drug repositioning

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repositioning of clinically approved drug Bazi Bushen capsule for treatment of Alzheimer′s disease using network pharma⁃cology approach and in vitro experimental validation

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中国药理学与毒理学杂志 2023年第S1期37卷 22-23页

作者： WANG Tongxing CHEN Meng HOU Bin LIANG Junqing WEI Cong JIA Zhenhua National Key Laboratory of Collateral Disease Research and Innovative Chinese Medicine Shijia-zhuang 050035China Hebei Yiling Pharmaceu-tical Research Institute Key Laboratory of State Administration of TCM(Cardio-Cerebral Vessel Collateral Diseases)Shijiazhuang 050035China Key Disciplines of State Administration of TCM for Collateral Disease Shijiazhuang 050035China

OBJECTIVE To explore the new indications and key mechanism of Bazi Bushen capsule(BZBS)by network pharmacology and in vitro *** The potential tar⁃get profiles of the components of BZBS were pre⁃***,new indications for BZBS were predicted by disease ontology(DO)enrich⁃ment analysis and initially validated by GO and KEGG pathway enrichment ***⁃more,the therapeutic target of BZBS acting on AD signaling pathway were identified by intersec⁃tion *** Alzheimer′s disease(AD)cell models,BV-2 and SH-SY5Y,were used to pre⁃liminarily verify the anti-AD efficacy and mecha⁃nism of BZBS in *** In total,1499 non-repeated ingredients were obtained from 16 herbs in BZBS formula,and 1320 BZBS targets with high confidence were *** enrichment results strongly suggested that BZBS formula has the potential to be used in the treat⁃ment of *** vitro experiments showed that BZ⁃BS could significantly reduce the release of TNF-αand IL-6 and the expression of COX-2 and PSEN1 in Aβ25-35-induced BV-2 *** reduced the apoptosis rate of Aβ25-35 induced SH-SY5Y cells,significantly increased mitochon⁃drial membrane potential,reduced the expres⁃sion of Caspase3 active fragment and PSEN1,and increased the expression of ***⁃SIONS BZBS formula has a potential use in the treatment of AD,which is achieved through regu⁃lation of ERK1/2,NF-κB signaling pathways,and GSK-3β/β-catenin signaling ***⁃more,the network pharmacology technology is a feasible drug repurposing strategy to reposition new clinical use of approved TCM and explore the mechanism of *** study lays a foun⁃dation for the subsequent in-depth study of BZBS in the treatment of AD and provides a basis for its application in the clinical treatment of AD.

关键词： drug repositioning Bazi Bushen capsule Network pharmacology Alzheimer′s disease Mechanism of action

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Metformin capped Cu_(2)(OH)_(3)Cl nanosheets for chemodynamic wound disinfection

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Nano Research 2023年第3期16卷 3991-3997页

作者： Xueyu Wang Shaobo Wang Jiao Gao Shuncheng Yao Teng Xu Yunchao Zhao Zeyu Zhang Tian Huang Shu Yan Linlin Li 306th Clinical College of PLA The Fifth Clinical CollegeAnhui Medical UniversityBeijing 100101China Beijing Institute of Nanoenergy and Nanosystems Chinese Academy of SciencesBeijing 101400China Center on Nanoenergy Research School of Physical Science and TechnologyGuangxi UniversityNanning 530004China PLA Strategic Support Force Characteristic Medical Center Beijing 100101China School of Nanoscience and Technology University of Chinese Academy of SciencesBeijing 100049China

Recently,the development of chemodynamic therapy(CDT)offers a potential approach for fighting bacteria and treating infectious diseases,in which those CDT nanoagents can catalyze the generation of hydroxyl radicals(·OH)to destroy *** this work,to improve the efficiency of CDT,we have designed a new kind of metformin(Met)-capped two-dimensional Cu_(2)(OH)_(3)Cl nanosheets(CuOHCl-Met NSs)with good monodispersity,highly positive charge,and good biocompatibility for improving antibacterial effect and accelerating wound *** the capped Met,CuOHCl-Met NSs can effectively kill bacteria under a low concentration(6μg·mL^(−1))and a short treatment time(in 15 min),showing great advantages over the counterpart without *** vivo results demonstrated that CuOHCl-Met NSs accelerated the tissue regeneration of staphylococcus aureus-infected dermal *** study provides a new pathway for improving efficiency of CDT nanoagent through using old drug.

关键词： chemodynamic therapy metformin antibacterial effect wound healing drug repositioning

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COVID-19: Antiviral Agents, Antibody Development and Traditional Chinese Medicine

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Virologica Sinica 2020年第6期35卷 685-698页

作者： Wenyi Guan Wendong Lan Jing Zhang Shan Zhao Junxian Ou Xiaowei Wu Yuqian Yan Jianguo Wu Qiwei Zhang Guangdong Provincial Key Laboratory of Tropical Disease Research School of Public HealthSouthern Medical UniversityGuangzhou 510515China Guangdong Provincial Key Laboratory of Virology Institute of Medical MicrobiologyJinan UniversityGuangzhou 510632GuangdongChina

The World Health Organization(WHO) has declared coronavirus disease 2019(COVID-19) is the first pandemic caused by coronavirus named severe acute respiratory syndrome coronavirus 2(SARS-CoV-2). Currently, there is no effective anti-SARS-CoV-2 drug approved worldwide for treatment of patients with COVID-19. Therapeutic options in response to the COVID-19 outbreak are urgently needed. To facilitate the better and faster development of therapeutic COVID-19 drugs, we present an overview of the global promising therapeutic drugs, including repurposing existing antiviral agents,network-based pharmacology research, antibody development and traditional Chinese medicine. Among all these drugs,we focus on the most promising drugs(such as favipiravir, tocilizumab, SARS-CoV-2 convalescent plasma, hydroxychloroquine, Lianhua Qingwen, interferon beta-1 a, remdesivir, etc.) that have or will enter the final stage of human testing—phase Ⅲ–Ⅳ clinical trials.

关键词： Severe acute respiratory syndrome coronavirus 2(SARS-CoV-2) Coronavirus disease 2019(COVID-19) Updates drug repositioning Network-based pharmacology Antibody Traditional Chinese medicine

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