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Structural optimization and biological evaluation of indolin-2-one derivatives as novel CdK8 inhibitors for idiopathic pulmonary fibrosis

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Biomedicine and pharmacotherapy 2025年 184卷 117891-117891页

作者： Hsu, Jui-Yi Hsu, Kai-Cheng Chou, Ching-Hsuan He, Tzu-Ying Lin, Tony Eight Sung, Tzu-Ying Yen, Shih-Chung Hsieh, Jui-Hua Yang, Chia-Ron Huang, Wei-Jan Ph.D. Program for Cancer Molecular Biology and Drug Discovery College of Medical Science and Technology Taipei Medical University and Academia Sinica Taipei Taiwan Graduate Institute of Cancer Biology and Drug Discovery College of Medical Science and Technology Taipei Medical University Taipei Taiwan Ph.D. Program for Cancer Molecular Biology and Drug Discovery College of Medical Science and Technology Taipei Medical University Taipei Taiwan Ph.D. Program in Drug Discovery and Development Industry College of Pharmacy Taipei Medical University Taipei Taiwan TMU Research Center of Cancer Translational Medicine Taipei Medical University Taipei Taiwan Cancer Center Wan Fang Hospital Taipei Medical University Taipei Taiwan School of Pharmacy College of Medicine National Taiwan University Taipei Taiwan Warshel Institute for Computational Biology School of Medicine The Chinese University of Hong Kong (Shenzhen) Shenzhen China Division of Translational Toxicology National Institute of Environmental Health Sciences National Institutes of Health Durham NC United States School of Pharmacy Taipei Medical University Taipei Taiwan

Cyclin-dependent kinase 8 (CdK8) plays a crucial role in the transforming growth factor beta (TGF-β) signaling pathway, which is critical to the pathology of idiopathic pulmonary fibrosis (IPF). CdK8 promotes the epithelial-mesenchymal transition (EMT) and excessive extracellular matrix (ECM) deposition, making it a promising target for IPF treatment. This study focused on optimizing F059–1017, a previously identified CdK8 inhibitor, to enhance its potency. Through integrated structure-based modifications, a series of compounds was synthesized, and their inhibitory effects on CdK8 were tested. Results indicated that substituting with cyclopentanone significantly improved the inhibitory activity, and compound 4j demonstrated the best potency (IC₅₀ = 16 nM). Notably, compared to F059–1017, its potency increased 35-fold, and kinase profiling revealed that the compound was selective for CdK8. Compound 4j inhibited the TGF-β1-induced EMT, cell migration, and morphological changes in A549 cells at a concentration of 0.1 μM and inhibited ECM and EMT protein expressions. In addition, the compound blocked TGF-β1-induced transcriptional changes and inhibited Smad3 and RNA polymerase II phosphorylation. These results highlight the potential of the optimized CdK8 inhibitor as a prospective drug for IPF treatment. © 2025 The Authors

关键词： Cyclin-dependent protein kinase 8 Epithelial-mesenchymal transition Indolin-2-one, Idiopathic pulmonary fibrosis Structural optimization Transforming growth factor beta

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design of sonochemical assisted synthesis of Zr-MOF/g-C3N4-modified electrode for ultrasensitive detection of antipsychotic drug chlorpromazine from biological samples

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Microchimica Acta 2024年第4期191卷 182-182页

作者： Ashkar, M.A. Kutti Rani, S. Vasimalai, N. Kuo, Chih-Yu Yusuf, Kareem Govindasamy, Mani Department of Chemistry B.S. Abdur Rahman Crescent Institute of Science and Technology Vandalur Chennai600 048 India Department of Chemical Engineering & amp Biotechnology National Taipei University of Technology Taipei10608 Taiwan International Ph.D. Program in Innovative Technology of Biomedical Engineering and Medical Devices Ming Chi University of Technology New Taipei City243303 Taiwan Department of Chemistry College of Science King Saud University Riyadh11451 Saudi Arabia Department of Research and Innovation Saveetha School of Engineering SIMATS Chennai6021055 India Research Center for Intelligence Medical Devices Ming Chi University of Technology New Taipei City243303 Taiwan

The rapid fabrication is described of binary electrocatalyst based on a highly porous metal–organic framework with zirconium metal core (Zr-MOF) decorated over the graphitic carbon nitride (g-C3N4) nanosheets via facile ultrasonication method. It is used for the robust determination of antipsychotic drug chlorpromazine (CLP) from environmental samples. The electrochemical behaviour of 2d Zr-MOF@g-C3N4 was characterized by cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) studies. The crystalline and porous nature of the composite was characterized by XRd and SEM analysis. The functional groups and surface characteristics were investigated by FT-IR, Raman and XPS. The major electrochemical properties of the Zr-MOF@g-C3N4 composite towards CLP detection were analyzed by CV, chronocoulometric (CC), chronoamperometric (CA) and differential pulse voltammetry (dPV) techniques. The composite exhibits a low detection limit (LOd) of 2.45 nM with a linear range of 0.02 to 2.99 µM and attractive sensitivity for CLP. The sensor system shows higher selectivity towards the possible interferences of CLP drug and exhibits better repeatability and stability. Finally, the fabricated sensor system shows a high recovery range varying from 96.2 to 98.9% towards the real samples. The proposed electrochemical probe might be a promising alternative to the prevailing diagnostic tools for the detection of CLP. Graphical Abstract: (Figure presented.) © The Author(s), under exclusive licence to Springer-Verlag GmbH Austria, part of Springer Nature 2024.

关键词： Cyclic voltammetry

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Removal of nitrogen and phosphorus pollutants from swine wastewater

Removal of nitrogen and phosphorus pollutants from swine was...

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2021 international Symposium on Intelligent Signal Processing and Communication Systems, ISPACS 2021

作者： Nguyen, Minh-Ky Lin, Chitsan Nhut, Huynh Tan Trung Hiep, Nguyen Hung, Nguyen T.Q. Huu Tuan, Tran National Kaohsiung University of Science and Technology College of Maritime Ph.D. Program In Maritime Science and Technology Kaohsiung Taiwan National Kaohsiung University of Science and Technology Department of Marine Environmental Engineering Kaohsiung Taiwan Nong Lam University of Ho Chi Minh City Faculty of Environment and Natural Resources Ho Chi Minh Viet Nam National Kaohsiung University of Science and Technology College of Maritime Kaohsiung Taiwan

ISBN: (纸本)9781665419512

This study investigated the simultaneous removal of nitrogen and phosphorus from swine wastewater by a magnesium ammonium phosphate crystallization. The precipitation of struvite was determined from swine wastewater, obtaining the optimal ph, Mg/N/P molar ratio, and reaction time were 9.0, 1.6/1/1.5 and 30 min, respectively. Ammonium and phosphate removal efficiencies were 98.1 ± 0.5% and 98.9 ± 0.4% under optimal conditions, and the highest crystallization mass obtained was 14.6 ± 0.6 g/L. Results illustrated that struvite precipitation is an efficient method for removing ammonium and phosphate in swine wastewater. © 2021 IEEE.

关键词： phosphorus

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Emission characteristics of naphthalene from ship exhausts under global sulfur cap

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science of the Total Environment 2023年 902卷 166172页

作者： Yeh, Chin-Ko Tzu, Fu-Ming Chen, Po-Yang Shen, Hsueh-Chen Yuan, Chung-Shin Lin, Chitsan Pu, Han-Pin Ngo, Huu Hao Bui, Xuan-Thanh Department of Marine Engineering National Kaohsiung University of Science and Technology Kaohsiung805301 Taiwan Department of Marine Environmental Engineering National Kaohsiung University of Science and Technology Kaohsiung811213 Taiwan Ph.D. Program in Maritime Science and Technology National Kaohsiung University of Science and Technology Kaohsiung811213 Taiwan Institute of Environmental Engineering National Sun Yat-sen University Kaohsiung804201 Taiwan School of Civil and Environmental Engineering University of Technology Sydney SydneyNWS2007 Australia 268 Ly Thuong Kiet Street District 10 Ho Chi Minh City Viet Nam Linh Trung ward Ho Chi Minh City700000 Viet Nam

The global sulfur limit regulation mandates the use of 0.5 % low sulfur fuel oil (LSFO) to reduce emissions of sulfur oxides (SOx), nitrogen oxides (NOx), and particulate matter (PM). However, the addition of naphthalene (Nap) to LSFO to stabilize its quality has led to an increase in polycyclic aromatic hydrocarbons (PAHs), with Nap being the main pollutant. This study investigates the effects of Nap in ship exhaust by analyzing the emission concentrations of volatile organic compounds (VOCs) and Nap in the exhaust of 16 ships, including 2 container ships, 6 bulk carriers, 1 tanker, 2 ferries, 3 fishing vessels, and 2 harbor crafts, based on USEPA method TO-15A. The results show that the percentage of Nap emissions in the exhaust gases of the 16 ship engines ranged from 77 % to 97 % of the total volatile organic compound (TVOC). The Nap concentration in the exhaust of fishing vessels, tanker, and harbor craft exceeded the occupational exposure limit of 50,000 μg/m3, with fishing vessels having the highest TVOC and Nap concentrations. The enhanced Nap emission in the air degrades air quality in port cities and poses an obvious potential public health risk. While the benefits of the global sulfur cap are being secured, additional efforts should be made to reduce the undetected side effects. Alternative stabilizers of LSFO should be considered, or Nap emission control should be boosted to mitigate the potential negative impact on harbor air quality. © 2023 Elsevier B.V.

关键词： Air quality

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A novel strategy towards the fabrication of highly stable and sensitive non-enzymatic glucose sensor based on Ni3N thin films using high power impulse magnetron sputtering

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Applied Surface science 2024年 669卷

作者： Pardhi, Nishchal Cheng, Wei-Chun Chen, Sheng-Chi Akshay Joshi, Shikha Govindasamy, Mani Department of Mechanical Engineering National Taiwan University of Science and Technology Taipei106 Taiwan Department of Materials Engineering and Center for Plasma and Thin Film Technologies Ming Chi University of Technology New Taipei City243303 Taiwan College of Engineering and Center for Green Technology Chang Gung University Taoyuan333 Taiwan Department of Materials Engineering Indian Institute of Science Bangalore560012 India International Ph.D. Program in Innovative Technology of Biomedical Engineering and Medical Devices Ming Chi University of Technology New Taipei City243303 Taiwan Tamil Nadu Chennai602105 India Research Center for Intelligence Medical Devices Ming Chi University of Technology New Taipei City243303 Taiwan

Glucose level surveillance in mankind is considered the greatest need of recent times to achieve healthy lifestyle goals due to its health-related concern for humans. To fulfill the need, Nickel-based compounds emerge with excellent bio-mimic properties. However, due to the poor electrical properties of oxides and hydroxides of Ni, developing a supporting base that can enhance electron transportation is mandatory. The present work is dedicated to non-enzymatic glucose detection by electrochemical means on the Ni3N thin film on an Indium-doped Tin Oxide (ITO) substrate as a working electrode in an alkaline medium. The Ni3N films use HiPIMS as a deposition technique due to its high ionization rate of sputtered species and dense plasma which helps the Ni ions to react with nitrogen in the formation of a perfect Ni3N phase, and it is a green process that can contribute to sustainable manufacturing. Ni3N thin film deposited at a 60 % N2 flow ratio shows the largest crystallinity and catalytic properties, which helps this modified electrode to have significant potential for glucose detection. The Ni3N modified electrode acquires a lower linear range of 0.001–1.25 mM with sensitivity and Limit of detection (LOd) of 337.46 µAmM–1cm−2, and 0.78 µM, respectively, and a higher linear range of 1.25–7.3161 mM with a sensitivity of 158.58 µAmM–1cm−2. The amperometric measurements reveal the fast response of the electrode towards glucose detection at 2.46 secs. The key measures of the electrode according to the corresponding measurements are satisfactory selectivity, reproducibility, repeatability, and operational stability. The modified electrode shows a significant response for real samples such as commercially available honey, apple juice, and biological fluids. © 2024 Elsevier B.V.

关键词： Thin films

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Seasonal influence on pollution index and risk of multiple compositions of microplastics in an urban river

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science of the Total Environment 2023年第PT 1期859卷 160021页

作者： Huang, Chi-Wei Li, Yi-Lin Lin, Chitsan Bui, Xuan-Thanh Vo, Thi-dieu-Hien Ngo, Huu Hao Department of Marine Environmental Engineering National Kaohsiung University of Science and Technology Kaohsiung81157 Taiwan Ph.D. Program in Maritime Science and Technology College of Maritime National Kaohsiung University of Science and Technology Kaohsiung81157 Taiwan 268 Ly Thuong Kiet Street District 10 Ho Chi Minh City Viet Nam Linh Trung ward Ho Chi Minh City700000 Viet Nam Faculty of Environmental and Food Engineering Nguyen Tat Thanh University Ho Chi Minh City Viet Nam School of Civil and Environmental Engineering University of Technology Sydney SydneyNWS2007 Australia

Emerging contaminant microplastics (MPs) are getting worldwide attention for their ubiquitous occurrence and potential risk to the environment. However, the seasonal influence on freshwater MP pollution remains poorly understood. To better understand and evaluate the riverine MPs in different seasons, this study conducted the risk assessment of MPs in an urban river, Houjin River, during the different seasons. The present study found that the MPs (0.1–5 mm, mostly 0.1–2 mm) were more abundant in the dry season (183.33 ± 128.95 items/m3) compared with the wet season (102.08 ± 45.80 items/m3). Similarly, the mixture of different MPs polymers was more diverse in the dry season. The related pollution indices such as the contamination factor (CF) and pollution load index (PLI) showed that average CF and PLI were 5.15 and 2.10 in the dry season, which significantly decreased to 1.58 and 1.25, respectively, in the wet season (p © 2022 Elsevier B.V.

关键词： Risk assessment

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Response surface optimization and sensitive analysis on biomagnetic blood Carreau nanofluid flow in stenotic artery with motile gyrotactic microorganisms

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SN Applied sciences 2023年第12期5卷 355页

作者： Tang, Tao-Qian Shah, Zahir Thumma, Thirupathi Rooman, Muhammad Vrinceanu, Narcisa Alshehri, Mansoor H. Department of Internal Medicine E-Da Hospital I-Shou University Kaohsiung82445 Taiwan School of Medicine College of Medicine I-Shou University Kaohsiung82445 Taiwan International Intercollegiate Ph.D. Program National Tsing Hua University Hsinchu30013 Taiwan Department of Family and Community Medicine E-Da Hospital I-Shou University Kaohsiung82445 Taiwan Department of Engineering and System Science National Tsing Hua University Hsinchu30013 Taiwan Department of Mathematical Sciences University of Lakki Marwat Khyber Pakhtunkhwa Lakki Marwat28420 Pakistan Department of Mathematics B V Raju Institute of Technology Telangana State Narsapur Medak502313 India Faculty of Engineering Department of Industrial Machines and Equipments "Lucian Blaga" University of Sibiu 10 Victoriei Boulevard Sibiu Romania Department of Mathematics College of Science King Saud University P.O. Box 2455 Riyadh11451 Saudi Arabia

Abstract: In this study, we investigate blood flow in a small artery with a constriction using gold nanoparticles (Au) in the presence of microorganisms, mass, and heat transfer. The non-Newtonian behavior of blood fluid in slight arteries is quantitatively inspected by simulating blood flow using the Carreau fluid model. Momentum equations incorporating magnetohydrodynamics (MHd) and darcy–Forchheimer porous media are used to model the fluid flow. Heat transfer properties, including thermal radiation, joule dissipation, and bio-convective microorganisms, are investigated. Blood serves as the base fluid for the nanofluid, which contains gold nanoparticles. The system's nonlinear partial differential equations are transformed into nonlinear OdEs through suitable transformations. To obtain numerical solutions for these OdEs, the homotopy analysis method is used. The physical implications of flow restrictions are compared with fictitious fluid flow using physical interpretations. Additionally, investigations into the interpretations of blood flow based on drag force and heat transfer are being conducted. ANOVA, or analysis of variance, is a dependable statistical tool used to evaluate regression models and a variety of statistical tests. These investigations include error assessments, total error evaluations, F-values, p-values, and model fit assessments. These statistical investigations were applied to the dataset at hand, with the goal of achieving a robust 95% level of confidence. We investigate the effects of minute adjustments in parameters on both the heat transfer rate and the friction factor rate using these analyses. The study intends to dive deeper into the potential effects of minor changes in one or more factors on the overall effectiveness of surface friction rate and the larger domain of thermal energy transfer. This will be performed by employing sensitivity analysis approaches. This strategy allows us to obtain a better understanding of how minor change

关键词： Nonlinear equations

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Novel visible-light-active P-g-CN-based α-Bi2O3/WO3 ternary photocatalysts with a dual Z-scheme heterostructure for the efficient decomposition of refractory ultraviolet filters and environmental hormones: Benzophenones

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environmental Research 2023年 234卷

作者： Berekute, Abiyu Kerebo Yu, Kuo-Pin Chuang, Yi-Hsueh Brad Lin, Kun-Yi Andrew International Ph.D. Program in Environmental Science and Technology National Yang Ming Chiao Tung University Taipei11221 Taiwan Institute of Environmental and Occupational Health Sciences National Yang Ming Chiao Tung University Taipei11221 Taiwan Institute of Environmental Engineering National Yang Ming Chiao Tung University Hsinchu City30010 Taiwan Department of Environmental Engineering and Innovation and Development Center of Sustainable Agriculture & Research Center of Sustainable Energy and Nano Technology National Chung Hsing University 250 Kuo-Kuang Road Taichung Taiwan Department of Chemistry College of Natural and Computational Sciences Arba Minch University Arbaminch Ethiopia

The ubiquitous and refractory benzophenone (BP)-type ultraviolet filters, which are also endocrine disruptors, were commonly detected in the aquatic matrix and could not be efficiently removed by conventional wastewater treatment processes, thus causing extensive concern. Herein, a novel ternary nanocomposite, P-g-CN/α-Bi2O3/WO3 (P-gBW), was successfully fabricated by mixing cocalcinated components and applied to the decomposition of BP-type ultraviolet filters. The dual-Z-scheme heterostructure of P-gBW enhances visible-light absorption, efficiently facilitates separation and mobility, and prolongs the lifetime of photoinduced charge carriers via double charge transfer mechanisms. The optimum 95 wt% P-gBW exhibited excellent photocatalytic activity, degrading 96% 4-hydroxy benzophenone (4HBP) within 150 min and 93% 2,2′,4,4′-tetrahydroxybenzophenone (BP-2) within 100 min under visible-light illumination, respectively. The pseudo-first-order rate constant of 4HBP (1.15 h−1) was 6.8-, 3.1-, 3.3- and 2.2-fold higher than those of WO3, P-g-CN, α-Bi2O3, and P-g-CN/α-Bi2O3, respectively, while that of BP-2 (1.71 h−1) was 5.2-, 2.2-, 3.2- and 1.5-fold higher, respectively. The improved photocatalytic degradation was attributed to efficient photoinduced charge carrier separation and migration and prevented the recombination of electron holes, as verified by photoluminescence, transient photocurrent response, and electrochemical impedance spectroscopy. Trapping experiments, electron paramagnetic resonance, and band energy position indicated an efficient dual-Z-scheme heterostructure. © 2023 Elsevier Inc.

关键词： Tungsten compounds

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development of BACE2-IN-1/tranylcypromine-based compounds to induce steroidogenesis-dependent neuroprotection

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Biomedicine and pharmacotherapy 2025年 183卷 117851-117851页

作者： Banerjee, Suddhasatwa Hsu, Ying-Ting Nguyen, duc-Hieu Yeh, Shiu-Hwa Liou, Ke-Chi Liu, Jr-Jiun Liou, Jing-Ping Chuang, Jian-Ying School of Pharmacy Taipei Medical University Taipei 11031 Taiwan Ph.D. Program in Medical Neuroscience Taipei Medical University and National Health Research Institutes Taipei 11031 Taiwan Institute of Biotechnology and Pharmaceutical Research National Health Research Institutes Miaoli County 35053 Taiwan TMU Research Center for Drug Discovery Taipei Medical University Taipei 11031 Taiwan Ph.D. Program in Drug Discovery and Development Industry College of Pharmacy Taipei Medical University Taipei 110 Taiwan International Master Program in Medical Neuroscience Taipei Medical University New Taipei City 23564 Taiwan TMU Research Center of Neuroscience Taipei Medical University Taipei 11031 Taiwan Department of Biomedical Science and Environmental Biology Kaohsiung Medical University Kaohsiung 80780 Taiwan

Traumatic brain injury (TBI) constitutes a significant burden on global healthcare systems, especially affecting younger populations, where it is a leading cause of disability and mortality. Current treatments for TBI mainly focus on preventing further brain damage and controlling symptoms. However, despite these approaches, several clinical needs remain unmet. Revelations from single-cell RNA sequencing (scRNA-seq) performed to determine cell-type heterogeneity and gene expression changes in brain tissue indicated that brain trauma increases the expression of lysine-specific demethylase 1 (LSd1) and secretase 2 (BACE2). To capitalize on this finding, a medicinal chemistry campaign was conducted to pragmatically insert tranylcypromine, an LSd1 inhibitor, into a carefully designed BACE2 inhibitory template (BACE2-IN-1). Additionally, tranylcypromine was structurally modified to enhance the effects of LSd1 inhibition in TBI. As a result, a tractable neuroprotective agent, BACE2-IN-1/tranylcypromine-based compound 4, was identified, showing potential to maintain Neuro-2a cell survival by alleviating mitochondrial damage after oxidative stress. Compound 4 also restored TBI-mediated inhibition of the cholesterol biosynthetic pathway (mevalonate pathway) and damage of redox metabolism, increasing neuroprotective effects. Furthermore, behavioral assays, including nest-building and cognitive performance tests, demonstrated significant improvement in mice post-TBI following treatment with compound 4. Taken together, the outcomes of this study validate the favorable effects of inhibiting LSd1 and beta-secretase in mitigating mitochondrial stress and promoting neurometabolic recovery in TBI. These findings pave the way for the development of rationally designed inhibitors as promising neuroprotective agents, potentially addressing unmet clinical needs in TBI treatment. © 2025 The Authors

关键词： Beta-secretase LSd1 Oxidative stress Sterol biosynthesis Tranylcypromine Traumatic brain injury

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FluoroFusion: NHC-Catalyzed Nucleophilic Aromatic Substitution Reaction Unveils Functional Perfluorinated diarylmethanones

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Organic letters 2024年第11期26卷 2338-2342页

作者： Cheng-Lin Chan Shao-Chi Lee Pei-Shan Lin Radyn Vanessa phaz P Tapales Jia-Syuan Li Chun-An Lai Jyh-Tsung Lee Chien-Hung Li Hsuan-Hung Liao Department of Chemistry National Sun Yat-sen University Kaohsiung 804201 Taiwan (R.O.C.). Department of International Ph.D. Program for Science National Sun Yat-sen University Kaohsiung 804201 Taiwan (R.O.C.). Department of Chemistry National Chung Hsing University Taichung 402202 Taiwan (R.O.C.). KAUST Catalysis Center (KCC) King Abdullah University of Science and Technology (KAUST) Thuwal 23955 Saudi Arabia. Department of Applied and Medicinal Chemistry Kaohsiung Medical University Kaohsiung 807378 Taiwan (R.O.C.).

A mild, facile, and metal-free approach via the -heterocyclic carbene-catalyzed SAr reaction between aryl aldehydes with perfluoroarenes to obtain the coveted functional perfluorinated diarylmethanones is disclosed. This method accommodates a diverse substrate range and exhibits notable tolerance toward various functional groups. Our success in modifying biologically relevant molecules, crafting a fully fluorinated bioisosteric analogue of drug candidate , and highlighting the potential of these ketones as valuable electrolyte additives for lithium-ion batteries (LIBs) underscores the versatility of our methodology.

关键词： Additives Aldehydes Aromatic compounds Chemical reactions Electrolytes

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