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Real-time model correction using Kalman filter for Raman-controlled cell culture processes

Chinese Journal of Chemical Engineering 2024年第6期70卷 251-260页

作者： Xiaoxiao Dong Zhuohong He Xu Yan Dong Gao Jingyu Jiao Yan Sun Haibin Wang Haibin Qu pharmaceutical Informatics institute College of Pharmaceutical SciencesZhejiang UniversityHangzhou 310058China Hisun Biopharmaceutical Co.Ltd. Hangzhou 311404China

Raman spectroscopy has found extensive use in monitoring and controlling cell culture *** this context,the prediction accuracy of Raman-based models is of paramount ***,models established with data from manually fed-batch cultures often exhibit poor performance in Raman-controlled ***,there is a need for effective methods to rectify these *** objective of this paper is to investigate the efficacy of Kalman filter(KF)algorithm in correcting Raman-based models during cell ***,partial least squares(PLS)models for different components were constructed using data from manually fed-batch cultures,and the predictive performance of these models was ***,various correction methods including the PLS-KF-KF method proposed in this study were employed to refine the PLS ***,a case study involving the auto-control of glucose concentration demonstrated the application of optimal model correction *** results indicated that the original PLS models exhibited differential performance between manually fed-batch cultures and Raman-controlled *** glucose,the root mean square error of prediction(RMSEP)of manually fed-batch culture and Raman-controlled culture was 0.23 and 0.40 g·L^(-1).With the implementation of model correction methods,there was a significant improvement in model performance within Raman-controlled *** RMSEP for glucose from updating-PLS,KF-PLS,and PLS-KF-KF was 0.38,0.36 and 0.17 g·L^(-1),***,the proposed PLS-KF-KF model correction method was found to be more effective and stable,playing a vital role in the automated nutrient feeding of cell cultures.

关键词： Raman spectroscopy Model correction Algorithm Model-predictive control Bioprocess

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Discovery of TK-642 as a highly potent,selective,orally bioavailable pyrazolopyrazine-based allosteric SHP2 inhibitor

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Acta Pharmaceutica Sinica B 2024年第8期14卷 3624-3642页

作者： Kai Tang Shu Wang Siqi Feng Xinyu Yang Yueyang Guo Xiangli Ren Linyue Bai Bin Yu Hong-Min Liu Yihui Song School of pharmaceutical sciences&Key Laboratory of Advanced Drug Preparation Technologies Ministry of EducationZhengzhou UniversityZhengzhou 450001China College of Chemistry Pingyuan LaboratoryState Key Laboratory of Antiviral DrugsZhengzhou UniversityZhengzhou 450001China Tianjian Laboratory of Advanced biomedical sciences Institute of Advanced Biomedical SciencesZhengzhou UniversityZhengzhou 450000China State Key Laboratory of pharmaceutical Biotechnology Nanjing UniversityNanjing 210023China

Src homology-2-containing protein tyrosine phosphatase 2(SHP2)is a promising therapeutic target for cancer *** this work,we presented the structure-guided design of 5,6-fused bicyclic allosteric SHP2 inhibitors,leading to the identification of pyrazolopyrazine-based TK-642 as a highly potent,selective,orally bioavailable allosteric SHP2 inhibitor(SHP2WT IC_(50)=2.7 nmol/L)with favorable pharmacokinetic profiles(F=42.5%;t_(1/2)=2.47 h).Both dual inhibition biochemical assay and docking analysis indicated that TK-642 likely bound to the“tunnel”allosteric site of ***-642 could effectively suppress cell proliferation(KYSE-520 cells IC_(50)=5.73μmol/L)and induce apoptosis in esophageal cancer cells by targeting the SHP2-mediated AKT and ERK signaling ***,oral administration of TK-642 also demonstrated effective anti-tumor effects in the KYSE-520 xenograft mouse model,with a T/C value of 83.69%.Collectively,TK-642 may warrant further investigation as a promising lead compound for the treatment of esophageal cancer.

关键词： Protein tyrosine phosphatase Pyrazolopyrazine SHP2 inhibitor Esophageal cancer

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Caffeic acid 3,4-dihydroxyphenethyl ester prevents colorectal cancer through inhibition of multiple cancer-promoting signal pathways in 1,2-Dimethylhydrazine/dextran sodium sulphate mouse model

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Journal of Traditional Chinese Medicine 2024年第1期44卷 70-77页

作者： JIN Tao ZHOU Qian SHEN Jichen ZHANG Zhizhong LIAN Xiaoyuan College of pharmaceutical sciences Zhejiang UniversityHangzhou 310058China pharmaceutical Informatics institute College of Pharmaceutical SciencesZhejiang UniversityHangzhou 310058China Ocean College Zhoushan Campus of Zhejiang UniversityZhoushan 316021China

OBJECTIVE:To elucidate the potential feature and mechanism of the caffeic acid 3,4-dihydroxyphenethyl ester(CADPE)molecule,which can prevent colorectal cancer(CRC)in the 1,2-Dimethylhydrazine(DMH)/dextran sodium sulphate(DSS)-induced mouse ***:institute of cancer research(ICR)male mice were injected with 20 mg/kg DMH for a *** that,2%DSS was administered in the drinking water for another 7 *** CADPE treatment was given to the DMH/DSS induced male mice at three different periods until their *** examination was used for observing the CRC development at colonic ***(IHC),blood cells smearing and crypt damage scoring methods were used for investigating the anti-inflammation feature of CADPE related to *** reversing targets searching method was applied with artificial intelligence(AI),computeraided drug designing(CADD)and Ingenuity Pathway Analysis(IPA)techniques for predicting the potential targets and mechanism of CADPE highly related to ***:The data indicated that CADPE inhibited CRC tumor development in the colitis-associated DMH/DSS induced mouse model after giving the early *** also impeded the acute inflammation by decreasing the infiltration of neutrophils significantly during the initial stage of CRC ***,our data showed that CADPE prevented CRC by blocking active sites of three pivotal protein targets including epidermal growth factor receptor(EGFR),extracellular signal-regulated kinase(ERK)and mammalian target of rapamycin(m TOR)in two major cancer development ***:CADPE effectively prevented CRC at early stage of tumor germination in the DMH/DSS mouse model highly likely due to its anti-acute inflammation characteristic and the ability of blocking EGFR,ERK and m TOR activities in two highly related CRC developing pathways.

关键词： caffeic acids colorectal neoplasms inflammation chemoprevention Sarcandra glabra

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Screening for Bioactive Compounds from Mulberry Leaves Combining Bio-Affinity Ultrafiltration with α-Glucosidase and Pancreatic Lipase

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Journal of Analysis and Testing 2024年第3期8卷 315-326页

作者： Hui Zhang Guilin Chen Yongli Zhang Felix Wambua Muema Jun Ding Mingquan Guo CAS Key Laboratory of Plant Germplasm Enhancement and Specialty Agriculture Wuhan Botanical Garden Chinese Academy of Sciences University of Chinese Academy of sciences institute of biomedical Engineering Ningbo Institute of Materials Technology and Engineering Chinese Academy of Sciences Ningbo Cixi institute of biomedical Engineering

With the growing prevalence of diabetes and obesity worldwide, the role of α-glucosidase and lipase inhibitors has gained increasing concentration. Mulberry, a functional medicinal and edible plant, has been reported extensively in alleviating both diabetes and obesity. However, there is still a lack of refined research on its active ingredients and mechanisms. In our study, the inhibitory activities of mulberry leaf against α-glucosidase and pancreatic lipase reached 191.37 ± 14.46 and 775 ± 68.60 μg/mL, respectively. Meanwhile, it also promoted glucose consumption in the HepG2 cells model. Subsequently,four α-glucosidase ligands and four pancreatic lipase ligands were identified through bio-affinity ultrafiltration combined with liquid-chromatography-mass spectrometry(UF-HPLC–MS/MS). In vitro inhibition assays confirmed the inhibitory potential of these representative ligands. Molecular docking suggested that these possible ligands could be inserted into the active pocket of the target enzyme through multiple intermolecular forces. Our findings indicated that the polyphenols in mulberry leaves may contribute significantly to their hypoglycemic and hypolipidemic properties. Furthermore, our study provides valuable insights for the screening of active ingredients in other medicinal and edible plants, which could help in the development of new therapies for diabetes and obesity.

关键词： Bio-affinity ultrafiltration Diabetes Mulberry leaves Obesity

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Recent advances in small-scale hydrogel-based robots for adaptive biomedical applications

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Nano Research 2024年第2期17卷 649-662页

作者： Mingzhe Nie Qilong Zhao Xuemin Du institute of biomedical&Health Engineering Shenzhen Institute of Advanced Technology(SIAT)Chinese Academy of Sciences(CAS)Shenzhen 518055China

Small-scale robots,ranging in size from micrometers to centimeters,have gained significant attention in the biomedical ***,conventional small-scale robots made of rigid materials encounter challenges in adapting themselves to the soft tissues and complicated environments of human *** to the rigid counterpart,small-scale hydrogel-based robots hold great promises due to their tissue-like low modulus,outstanding biocompatibility and accessible stimuli-responsive *** attributes offer small-scale hydrogel-based robots with multimodal locomotion and reinforced functions,further enhancing the adaptability in manipulation and tasks execution for various biomedical *** this review,we present recent advances in small-scale hydrogel-based *** first summarize the design principles of small-scale hydrogel-based robots including materials,fabrication techniques and manipulation strategies,then highlighting their upgraded functions and adaptive biomedical ***,we discuss existing challenges and future perspectives for small-scale hydrogel-based robots.

关键词： small-scale robot hydrogel locomotion multi-function adaptability

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Repurposing diacerein to suppress colorectal cancer growth by inhibiting the DCLK1/STAT3 signaling pathway

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Chinese Journal of Natural Medicines 2024年第4期22卷 318-328页

作者： YE Qiaobei ZHU Yu SHI Meng LV Linxi GONG Yuyan ZHANG Luyao YANG Lehe ZHAO Haiyang ZHAO Chengguang XU Huanhai Affiliated Yueqing Hospital Wenzhou Medical UniversityWenzhou 325600China The institute of Life sciences Biomedical Collaborative Innovation Center of Zhejiang ProvinceWenzhou UniversityWenzhou 325035China School of pharmaceutical sciences Wenzhou Medical UniversityWenzhou 325035China

Double cortin-like kinase 1(DCLK1)exhibits high expression levels across various cancers,notably in human colorectal cancer(CRC).Diacerein,a clinically approved interleukin(IL)-1βinhibitor for osteoarthritis treatment,was evaluated for its impact on CRC proliferation and migration,alongside its underlying mechanisms,through both in vitro and in vivo *** study employed MTT assay,colony formation,wound healing,transwell assays,flow cytometry,and Hoechst 33342 staining to assess cell proliferation,migration,and ***,proteome microarray assay and western blotting analyses were conducted to elucidate diacerein’s specific mechanism of *** findings indicate that diacerein significantly inhibits DCLK1-dependent CRC growth in vitro and in *** high-throughput proteomics microarray and molecular docking studies,we identified that diacerein directly interacts with ***,the suppression of p-STAT3 expression following DCLK1 inhibition by diacerein or specific DCLK1 siRNA was ***,diacerein effectively disrupted the DCLK1/STAT3 signaling pathway and its downstream targets,including MCL-1,VEGF,and survivin,thereby inhibiting CRC progression in a mouse model,thereby inhibiting CRC progression in a mouse model.

关键词： DCLK1 Diacerein Rhein STAT3 Colorectal cancer

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Erratum to“Tumor Microenvironment-Specific Chemical Internalization for Enhanced Gene Therapy of Metastatic Breast Cancer”

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Research 2024年第3期6卷 797-798页

作者： Yun Zhou Mian Yu Changjun Tie Yang Deng Junqing Wang Yunfei Yi Fan Zhang Chenyi Huang Hairong Zheng Lin Mei Meiying Wu School of pharmaceutical sciences(Shenzhen) Sun Yat-sen UniversityShenzhen 518107China Paul C.Lauterbur Research Center for biomedical Imaging Institute of Biomedical and Health EngineeringShenzhen Institutes of Advanced TechnologyChinese Academy of SciencesShenzhen 518055China Tianjin Key Laboratory of biomedical Materials Key Laboratory of Biomaterials and Nanotechnology for Cancer ImmunotherapyInstitute of Biomedical EngineeringChinese Academy of Medical Sciences and Peking Union Medical CollegeTianjin 300192China

In the Research Article “Tumor Microenvironment-Specific Chemical Internalization for Enhanced Gene Therapy of Metastatic Breast Cancer,” the authors made an error in Fig. 6A. In Fig. 6A, the image of “pre” in the “Free Cy5-siRNA” group was misused. When incorporating the final images in Fig. 6A, another image of “24 h” in the “Free Cy5-siRNA” group was inadvertently chosen as the “Pre” image, so they appear to be remarkably similar. After the error was discovered, the authors repeated the experiments that concluded that this error did not affect the results, discussion, or conclusion of this paper. Figure 6A has now been corrected in the PDF and HTML (full text).

关键词： Internal Cancer Breast

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Complications and comorbidities associated with antineoplastic chemotherapy:Rethinking drug design and delivery for anticancer therapy

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Acta Pharmaceutica Sinica B 2024年第7期14卷 2901-2926页

作者： Xiaoman Mao Shuang Wu Dandan Huang Chong Li College of pharmaceutical sciences Southwest UniversityChongqing 400715China Medical Research institute Southwest UniversityChongqing 400715China School of pharmaceutical sciences Southern Medical UniversityGuangzhou 510515China

Despite the considerable advancements in chemotherapy as a cornerstone modality in cancer treatment,the prevalence of complications and pre-existing diseases is on the rise among cancer patients along with prolonged survival and aging *** relationships between these disorders and cancer are intricate,bearing significant influence on the survival and quality of life of individuals with cancer and presenting challenges for the prognosis and outcomes of ***,we review the prevailing complications and comorbidities that often accompany chemotherapy and summarize the lessons to learn from inadequate research and management of this scenario,with an emphasis on possible strategies for reducing potential complications and alleviating comorbidities,as well as an overview of current preclinical cancer models and practical advice for establishing bio-faithful preclinical models in such complex context.

关键词： Complications Comorbidities Chemotherapy Preclinical cancer models Drug design Drug delivery

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Strategies that regulate LSD1 for novel therapeutics

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Acta Pharmaceutica Sinica B 2024年第4期14卷 1494-1507页

作者： Meng Li Mengge Dai Bing Cheng Shaotong Li Enhui Guo Junwei Fu Ting Ma Bin Yu School of pharmaceutical sciences&Key Laboratory of Advanced Drug Preparation Technologies Ministry of EducationZhengzhou UniversityZhengzhou 450001China College of Chemistry Zhengzhou UniversityZhengzhou 450001China Tianjian Laboratory of Advanced biomedical sciences Institute of Advanced Biomedical SciencesZhengzhou UniversityZhengzhou 450000China Pingyuan Laboratory State Key Laboratory of Antiviral DrugsHenan Normal UniversityXinxiang 453007China State Key Laboratory of pharmaceutical Biotechnology Nanjing UniversityNanjing 210023China

Histone methylation plays crucial roles in regulating chromatin structure and gene transcrip-tion in epigenetic ***-specific demethylase 1(LSD1),the first identified histone de-methylase,is universally overexpressed in various ***1 dysregulation is closely associated with cancer,viral infections,and neurodegenerative diseases,etc.,making it a promising therapeutic *** LSD1 inhibitors and two small-molecule degraders(UM171 and BEA-17)have entered the clinical ***1 can remove methyl groups from histone 3 at lysine 4 or lysine 9(H3K4 or H3K9),resulting in either transcription repression or *** the roles of LSD1 in transcrip-tional regulation are well-established,studies have revealed that LSDl can also be dynamically regulated by other *** example,the expression or activity of LSD1 can be regulated by many proteins that form transcriptional corepressor complexes with ***,some post-transcriptional modifica-tions and cellular metabolites can also regulate LSD1 expression or its demethylase ***,in this review,we will systematically summarize how proteins involved in the transcriptional corepressor complex,various post-translational modifications,and metabolites act as regulatory factors for LSD1 ac-tivity.

关键词： LSD1 regulation Transcription repression Transcription activation the Corepressor complex Post-transcriptional modifications Metabolites

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Sodium intake:a double-edged sword wielded by the brain

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Science China(Life sciences) 2024年第7期67卷 1545-1547页

作者： Lingyu Xu Xiaolong Ma Yi Wang Zhong Chen Key Laboratory of Neuropharmacology and pharmaceutical sciences Zheiiang Chinese Medical UniversityHangzhou 310053China institute of Pharmacology&Toxicology College of Pharmaceutical SciencesZhejiang UniversityHangzhou 310058China

Taste receptors on the tongue discriminate between five fundamental tastes:sour,sweet,bitter,salty,and umami(Chandrashekar et al.,2006).Typically,stimuli that evoke bitterness and acidity prompt aversive responses by animals,whereas sweet and umami flavors are appetitive and *** is unique in that it transitions from an appetitive to an aversive stimulus with increasing concentrations.

关键词： prompt sweet sword

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