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Structure-guided identification and characterization of potent inhibitors targeting phoP and MtrA to combat mycobacteria

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Computational and Structural Biotechnology Journal 2024年 23卷 1477-1488页

作者： Su, Han-Li Lai, Shu-Jung Tsai, Keng-Chang Fung, Kit-Man Lung, Tse-Lin Hsu, Hsing-Mien Wu, Yi-Chen Liu, Ching-Hui Lai, Hui-Xiang Lin, Jiun-Han Tseng, Tien-Sheng Department of Emergency Medicine Ditmanson Medical Foundation Chia-Yi Christian Hospital Chiayi City600 Taiwan Graduate Institute of Biomedical Sciences China Medical University Taichung Taiwan Research Center for Cancer Biology China Medical University Taichung Taiwan National Research Institute of Chinese Medicine Ministry of Health and Welfare Taipei Taiwan Ph.D. Program in Medical Biotechnology College of Medical Science and Technology Taipei Medical University Taipei Taiwan Academia Sinica Taipei11529 Taiwan Institute of Molecular Biology National Chung Hsing University Taichung Taiwan Department of Industrial Technology Ministry of Economic Affairs Taipei Taiwan Food Industry Research and Development Institute Hsinchu City Taiwan

Mycobacteria are causative agents of tuberculosis (TB), which is a global health concern. drug-resistant TB strains are rapidly emerging, thereby necessitating the urgent development of new drugs. Two-component signal transduction systems (TCSs) are signaling pathways involved in the regulation of various bacterial behaviors and responses to environmental stimuli. Applying specific inhibitors of TCSs can disrupt bacterial signaling, growth, and virulence, and can help combat drug-resistant TB. We conducted a comprehensive pharmacophore-based inhibitor screening and biochemical and biophysical examinations to identify, characterize, and validate potential inhibitors targeting the response regulators phoP and MtrA of mycobacteria. The constructed pharmacophore model phar-PR-n4 identified effective inhibitors of formation of the phoP–dNA complex: ST132 (IC50 = 29 ± 1.6 µM) and ST166 (IC50 = 18 ± 1.3 µM). ST166 (Kd = 18.4 ± 4.3 μM) and ST132 (Kd = 14.5 ± 0.1 μM) strongly targeted phoP in a slow-on, slow-off manner. The inhibitory potency and binding affinity of ST166 and ST132 for MtrAC were comparable to those of phoP. Structural analyses and molecular dynamics simulations revealed that ST166 and ST132 mainly interact with the α8-helix and C-terminal β-hairpin of phoP, with functionally essential residue hotspots for structure-based inhibitor optimization. Moreover, ST166 has in vitro antibacterial activity against Macrobacterium marinum. Thus, ST166, with its characteristic 1,2,5,6-tetrathiocane and terminal sulphonic groups, has excellent potential as a candidate for the development of novel antimicrobial agents to combat pathogenic mycobacteria. © 2024 The Authors

关键词： Antimicrobial agents

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POST-CLASSIFICATION ENHANCEMENT IN THE RESULT OF dEEP LEARNING LANd COVER CLASSIFICATION USING VERY-HIGH RESOLUTION SATELLITE IMAGERY 44

POST-CLASSIFICATION ENHANCEMENT IN THE RESULT OF DEEP LEARNI...

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44th Asian Conference on Remote Sensing, ACRS 2023

作者： Hakim, Yofri Furqani Tsai, Fuan International Ph.D. Program in Environmental Science and Technology National Central University No. 300 Zhongda Rd. Zhongli District Taoyuan City32001 Taiwan Center for Space and Remote Sensing Research National Central University No. 300 Zhongda Rd. Zhongli District Taoyuan City32001 Taiwan

ISBN: (纸本)9781713893646

Land cover is one of the fundamental data utilized in spatial analysis for a range of applications, including climate, environment, natural resources, agriculture, forestry, planning, health, and even social issues. The demand for land cover data is diverse, ranging from global scale, regional scale, and detailed scale. Furthermore, data updates also become a necessity for users. The current trend is the requirement for more accurate and up-to-date land cover data. The growing demand for accurate and up-to-date land cover data is in sync with improvements in satellite imagery data acquisition technology, which now offers improved spatial resolution and more effective satellite imagery data processing. Satellite imagery data processing technology is also growing rapidly with the advance of artificial intelligence for semantic classification or segmentation. This research uses a deep learning approach to classify land cover on Pleiades very high-resolution satellite imagery. A post-classification enhancement is also carried out to improve the consistency and accuracy of the deep learning classification results. The preliminary research results show that post-classification enhancement with the algorithms proposed in this study can increase the accuracy of classification results using deep learning-based approaches by approximately 2%. The original Overall Accuracy and Kappa of the deep learning classification results were 0.84 and 0.79. After the post-classification enhancement process, the Overall Accuracy and Kappa values increased to 0.86 and 0.81. © 2023 ACRS. All Rights Reserved.

关键词： deep Learning Image Morphology Land Cover Classification Post-Classification Enhancement Semantic Segmentation U-Net

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Reusable Hydrogen Storage Tank with Flange design 10

Reusable Hydrogen Storage Tank with Flange Design

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10th International Conference on Applied System Innovation, ICASI 2024

作者： Li, Yun-Qi Chen, Hsuan-Jung Yang, Hsi-Wen Chen, Chih-Yuan Chang, Shao-Fu Chen, Ssu-Ying Chen, Chien-Chon College of Engineering and Science Ph.D. Program in Materials and Chemical Engineering National United University Miaoli Taiwan Michigan State University Department of Chemistry MI48824 United States National United University Department of Materials Engineering Miaoli Taiwan Graduate Institute of Intellectual Property National Taipei University of Technology Taiwan National United University Department of Energy Engineering Miaoli Taiwan

ISBN: (纸本)9798350394924

For how to store and transport hydrogen, the first thought is to store hydrogen directly in the cylinder. However, this method is not desirable, because generally at least 700 atm high pressure, the hydrogen contained in the cylinder to be useful. Therefore it is very unsafe at such high pressures. In This paper, we design and production of a new generation of solid-state hydrogen storage and discharge container. The goal of 'development of solid-state hydrogen storage technology' is to break through the bottlenecks of hydrogen storage technology safety, hydrogen storage density, high-efficiency hydrogen absorption and release, transportation safety, and engineering practice. © 2024 IEEE.

关键词： Aluminum

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Characterization of Bacterial Strains Isolated from Wastewater Polluted Soil for Synthetic dye decolorization Attributes

Characterization of Bacterial Strains Isolated from Wastewat...

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

作者： Ahsan, Wazir Aitizaz Lin, Chitsan National Kaohsiung University of Science and Technology Ph.D. Program In College of Hydrosphere Kaohsiung Taiwan National Kaohsiung University of Science and Technology Department of Marine Environmental Engineering Kaohsiung Taiwan

ISBN: (纸本)9781665419512

Soil is a renewable and valuable medium for variety of life. In Pakistan, factory effluents and domestic wastewater is generally not recycled and it contaminates the agricultural soils adjacent to nearby drains. Five screened isolates were subjected to azo dye decolorization (Reactive Black, Red Reactive, Blue direct, Congo Red direct) in the presence of NaCl, at variable ph levels and at different carbon sources. Isolate Sr-7, Ss-2-1 showed best decolorization ability in terms of all the azo dyes studied. Similarly, isolates Sr-2-1/1 and Mr-1/1 exhibited maximum phosphate solubilization and IAA production potential. The screened isolates can be used as inoculants to increase crop productivity in problem soils and can also be applied in wastewater treatments processes. © 2021 IEEE.

关键词： Azo dyes

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Acoustic Scene Classification Using Perceptually Weighted Log Mel Spectrogram and Buttom-up Broadcast Neural Network

Acoustic Scene Classification Using Perceptually Weighted Lo...

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IEEE International Conference on Consumer Electronics-Taiwan (ICCE-TW)

作者： Riyad Ali Ahmad Abuirbaiha Chang-Hsing Lee Cheng Chang Lien Ph.D. Program in Engineering Science Chung Hua University Hsinchu Taiwan Bachelor Program in Industrial Artificial Intelligence Ming Chi University of Technology New Taipei City Taiwan Department of Computer Science and Information Engineering Chung Hua University Hsinchu Taiwan

ISBN: (数字)9798350386844

ISBN: (纸本)9798350386851

The study explores various 2d feature representations including spectrogram, MFCC spectrogram, log Mel-spectrogram, and the perceptual weighted log Mel-spectrogram (PW-LMSP) for acoustic scene classification (ASC). These 2d feature representations were classified using a bottom-up broadcast neural network (BBNN). The experimental results have shown that PW-LMSP outperforms other 2d representations. Further, the proposed method (PW-LMSP with BBNN) achieves accuracies of 91.2% and 91.6% respectively on the dCASE2018 and dCASE2019 development datasets, outperforming all the submissions in dCASE2018 and dCASE2019, as well as state-of-the-art approaches.

关键词： Scene classification Accuracy Neural networks LoRa Feature extraction Acoustics Mel frequency cepstral coefficient

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Structure-Guided discovery of Pd-1/Pd-L1 Interaction Inhibitors: Peptide design, Screening, and Optimization via Computation-Aided phage display Engineering

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Journal of Chemical Information and Modeling 2024年第5期64卷 1615-1627页

作者： Tseng, Tien-Sheng Lee, Chao-Chang Chen, Po-Juei Lin, Chiu-Yuen Chen, Wang-Chuan Lee, Yu-Ching Lin, Jiun-Han Chen, Kaun-Wen Tsai, Keng-Chang Institute of Molecular Biology National Chung Hsing University Taichung40202 Taiwan National Research Institute of Chinese Medicine Ministry of Health and Welfare Taipei11221 Taiwan The School of Chinese Medicine for Post Baccalaureate I-Shou University Kaohsiung824005 Taiwan Department of Chinese Medicine E-Da Hospital Kaohsiung824005 Taiwan TMU Research Center of Cancer Translational Medicine Taipei Medical University Taipei11031 Taiwan Ph.D. Program in Medical Biotechnology College of Medical Science and Technology Taipei Medical University Taipei11031 Taiwan Department of Industrial Technology Ministry of Economic Affairs Taipei100210 Taiwan Food Industry Research and Development Institute Hsinchu30062 Taiwan Molecular Science and Digital Innovation Center Genetics Generation Advancement Corporation Taipei11949 Taiwan

Cancer immunotherapy harnesses the immune system to combat tumors and has emerged as a major cancer treatment modality. The Pd-1/Pd-L1 immune checkpoint modulates interactions between tumor cells and T cells and has been extensively targeted in cancer immunotherapy. However, the monoclonal antibodies known to target this immune checkpoint have considerable side effects, and novel Pd-1/Pd-L1 inhibitors are therefore required. Herein, a peptide inhibitor to disrupt Pd-1/Pd-L1 interactions was designed through structure-driven phage display engineering coupled to computational modification and optimization. BetaPb, a novel peptide library constructed by using the known structure of Pd-1/Pd-L, was used to develop inhibitors against the immune checkpoint, and specific peptides with high affinity toward Pd-1 were screened through enzyme-linked immunosorbent assays, homogeneous time-resolved fluorescence, and biolayer interferometry. A potential inhibitor, B8, was preliminarily screened through biopanning. The binding affinity of B8 toward Pd-1 was confirmed through computation-aided optimization. Assessment of B8 variants (B8.1, B8.2, B8.3, B8.4, and B8.5) demonstrated their attenuation of Pd-1/Pd-L1 interactions. B8.4 exhibited the strongest attenuation efficiency at a half-maximal effective concentration of 0.1 μM and the strongest binding affinity to Pd-1 (equilibrium dissociation constant = 0.1 μM). B8.4 outperformed the known Pd-1/Pd-L1 interaction inhibitor PL120131 in disrupting Pd-1/Pd-L1 interactions, revealing that B8.4 has remarkable potential for modification to yield an antitumor agent. This study provides valuable information for the future development of peptide-based drugs, therapeutics, and immunotherapies for cancer. © 2024 American Chemical Society.

关键词： Peptides

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Tumor-derived interleukin-1 receptor antagonist exhibits immunosuppressive functions and promotes pancreatic cancer

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Cell and Bioscience 2023年第1期13卷 1页

作者： Fan, Yu-Ching Fong, Yu-Cin Kuo, Chun-Tse Li, Chia-Wei Chen, Wei-Yu Lin, Jian-da Bürtin, Florian Linnebacher, Michael Bui, Quoc Thang Lee, Kuan-der Tsai, Yuan-Chin 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 Institute of Biomedical Sciences Academia Sinica Taipei Taiwan Department of Pathology Wan Fang Hospital Taipei Medical University Taipei Taiwan Department of Pathology School of Medicine College of Medicine Taipei Medical University Taipei Taiwan Department of Biochemical Science and Technology College of Life Science National Taiwan University Taipei City 10617 Taiwan Center for Computational and Systems Biology National Taiwan University Taipei City 10617 Taiwan Clinic of General Surgery University Medical Center Rostock Schillingallee 35 Rostock 18057 Germany Clinic of General Surgery Molecular Oncology and Immunotherapy University Medical Center Rostock Schillingallee 69 Rostock 18057 Germany International Ph.D. Program for Cell Therapy and Regeneration Medicine (IPCTRM) School of Medicine College of Medicine Taipei Medical University Taipei Taiwan Department of Post-Baccalaureate Medicine College of Medicine Natioanl Chung Hsing University Taichung Taiwan Cell Therapy and Regenerative Medicine Center and Comprehensive Cancer Center Taichung Veterans General Hospital Taichung Taiwan Ph.D. Program for Cancer Molecular Biology and Drug Discovery College of Medical Science and Technology Taipei Medical University Taipei Taiwan

Background: Pancreatic ductal adenocarcinoma (PdA) is a pernicious disease characterized by an immunosuppressive milieu that is unresponsive to current immunotherapies. Interleukin-1 receptor antagonist (IL-1Ra) is a natural anti-inflammatory cytokine;however, its contribution to cancer pathogenesis and immunosuppression remains elusive. In this research, we investigated the role and mechanism of IL-1Ra in malignant progression of PdA. Results: Through analyzing clinical dataset and examining the pathological tumor tissues and serum samples, we have demonstrated that IL-1Ra expression is elevated in human PdA and positively associated with malignant progression of PdA. To study the biological function of IL-1Ra in tumors, we generated a set of mouse pancreatic cancer cell lines with a knockout (KO) of the Il1rn gene, encoding IL-1Ra, and compared the tumor growth rates in immune-competent and immune-deficient mice. We found that the Il1rn KO cells exhibited greater tumor inhibition in immune-competent mice, highlighting the crucial role of a functional immune system in Il1rn KO-mediated anti-tumor response. Consistently, we found an increase in Cd8⁺ T cells and a decrease in Cd11b⁺Ly6G⁻ immunosuppressive mononuclear population in the tumor microenvironment of Il1rn KO-derived tumors. To monitor the inhibitory effects of IL-1Ra on immune cells, we utilized a luciferase-based reporter Cd4⁺ T cell line and splenocytes, which were derived from transgenic mice expressing ovalbumin-specific T cell receptors in Cd8⁺ T cells, and mice immunized with ovalbumin. We showed that IL-1Ra suppressed T cell receptor signaling and inhibited antigen-specific interferon-γ (IFN-γ) secretion and cytolytic activity in splenocytes. Conclusions: Our findings illustrate the immunosuppressive properties of the natural anti-inflammatory cytokine IL-1Ra, and provide a rationale for considering IL-1Ra-targeted therapies in the treatment of

关键词： IFN-γ Immunosuppression interleukin-1 receptor antagonist Pancreatic adenocarcinoma Patient-derived xenograft Tumor microenvironment

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Selective detection of explosive nitro-aromatic compounds using the 2d organic nanosheets (2dONs) synthesize via 2d click chemistry directed by ultrasonication

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Journal of Industrial and Engineering Chemistry 2024年 134卷 504-513页

作者： dabur, deepak Chiu, Yun Cheih Wu, Hui-Fen International Ph.D. Program for Science National Sun Yat-Sen University Kaohsiung80424 Taiwan Department of Chemistry National Sun Yat-Sen University Kaohsiung 70 Lien-Hai Road Kaohsiung80424 Taiwan Institute of Medical Science and Technology National Sun Yat-Sen University Kaohsiung80424 Taiwan School of Pharmacy College of Pharmacy Kaohsiung Medical University Kaohsiung80708 Taiwan Institute of Precision Medicine College of Medicine National Sun Yat-Sen University Kaohsiung80424 Taiwan School of Medicine College of Medicine National Sun Yat-Sen University Kaohsiung80424 Taiwan

Recent advancements in click chemistry have made it an effective method for quickly and easily assembling extremely stable nanomaterial assemblies onto surfaces. Therefore, a new class of fluorescent sensor utilizing two-dimensional organic nanosheets (2dONs) for the selective sensing of 2,4-dinitrophenylhydrazine (2,4-dNph) has been proposed by using the click chemistry directed by the probe ultrasonication method (CCdPS) which is driven by the π-π stacking interactions with the aid of dMF solvent. Prolonged human exposure to 2, 4-dNph has been associated with various detrimental health consequences, including skin conditions, liver issues, and disturbances to the central nervous and cardiovascular systems. Fluorescence titration tests with nanomolar scale limit of detection (LOd, 100 nM or 0.1 μM) and limit of quantification (LOQ, 0.4 μM) for 2,4-dNph showed fluorescence quenching reactions and excellent reversibility. Additionally, zeta potential and UV-absorption spectroscopy were used to validate the interaction and binding characteristics of 2d ONs with 2,4-dNph. In contrast to the widely reported ground-state charge transfer or FRET-based probes for nitroaromatics detection, the signal response for 2,4-dNph was achieved by a strong inner filter effect with the combination of FRET (IFE-FRET). © 2024 The Korean Society of Industrial and Engineering Chemistry

关键词： Probes

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A Review on digital Simulation Strategies and Its Applications for Advanced Compression Garments 16

A Review on Digital Simulation Strategies and Its Applicatio...

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16th Textile Bioengineering and Informatics Symposium, TBIS 2023

作者： Youn, Seonyoung darden, Ryan Mathur, Kavita Fiber and Polymer Science Ph.D. Program North Carolina State University RaleighNC27606 United States Department of Textile Engineering Chemistry and Sciences M.S. Textile Engineering Program North Carolina State University RaleighNC27606 United States Department of Textile and Apparel Technology and Management North Carolina State University RaleighNC27606 United States

ISBN: (纸本)9781713879473

This paper presents a comprehensive review on the current state of digital simulation technology and its strategic application usages with a key focus on advanced compression garments. Although three-dimensional (3d) digital garment simulators have significantly impacted the apparel and textile industry, their use has been limited to visual prototyping, quality checking, or marketing. The physical properties of garment simulators have been overlooked in advanced functional manufacturing. This literature review investigates the possibility of strategically utilizing virtual physical properties to enhance garment functions, specifically in wearables and medical-grade compression fields. The first phase of this paper gives an overview of the current state of 3d garment simulation tools and their measurement features. This is followed by a gap analysis between simulated and physical property evaluations, focusing on minimizing the gaps. The literature is thoroughly examined to identify appropriate studies that uses digital tools for compressional garments and add value to wearables and healthcare applications. This paper provides valuable insights for apparel and textile engineers, enabling them to better understand the limitations and capabilities of garment simulators in improving advanced features for specific end users. © TBIS 2023. All rights reserved.

关键词： physical properties

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A dual-channel Converter with a Positive Output and a Negative Voltage Output

A Dual-channel Converter with a Positive Output and a Negati...

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International Symposium on Computer, Consumer and Control (IS3C)

作者： Yau Yeu-Torng Luu Thanh-phu Ph.D. Program Prospective Technology of Electrical Engineering and Computer Science National Chin-Yi University of Technology Taichung Taiwan Department of Electrical Engineering National Chin-Yi University of Technology Taichung Taiwan

In this paper, a dual-channel converter with a positive output and negative voltage output is proposed. It integrates a positive voltage output converter and a negative voltage output converter, and shares the same switches. The number of active components can be reduced. In addition, the circuit can achieve dual output voltage control with a single controller and PWM drive signal by appropriately designing the ratio of the number of windings of the coupling inductor. A regulated positive voltage output and negative voltage output can be achieved.

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