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A dual nociceptin and mu opioid receptor agonist exhibited robust antinociceptive effect with decreased side effects

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European Journal of Medicinal Chemistry 2023年第1期258卷 115608页

作者： Hsu, Ying-Ting Chen, Shen-Ren Chang, Yung-Chiao Chang, Hsiao-Fu Yeh, Teng-Kuang Chuang, Jian-Ying Loh, Horace H. Hsieh, Hsing-Pang Ueng, Shau-Hua Yeh, Shiu-Hwa Institute of Biotechnology and Pharmaceutical Research National Health Research Institutes Miaoli County 35053 Taiwan School of Pharmacy College of Medicine National Cheng Kung University Tainan 701 Taiwan The Ph.D. Program in Medical Neuroscience College of Medical Science and Technology Taipei Medical University and National Health Research Institutes Taipei 110 Taiwan Bioland Laboratory (Guangzhou Regenerative Medicine and Health Guangdong Laboratory) Guangzhou 10005 China Department of Pharmacology Medical School University of Minnesota Minneapolis 55455-0217 MN United States

The compelling demand of a consummate analgesic medication without addiction is rising due to the clinical mistreatment. Additionally, the series of severe untoward effects usually deterred the utilization while coping with serious pain. As a possible turning point, we revealed that compound 14 is a dual agonist of mu opioid receptor (MOR) and nociceptin-orphanin FQ opioid peptide (NOP) receptor in this study. More importantly, compound 14 achieves pain relieving at very small doses, meanwhile, reduces several unwanted side effects such as constipation, reward, tolerance and withdrawal effects. Here, we evaluated the antinociception and side effects of this novel compound from wild type and humanized mice to further develop a safer prescription analgesic drug. © 2023 Elsevier Masson SAS

关键词： Addiction Antinociception Antinociceptive tolerance Constipation Mu-opioid receptor Reward effect

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Oleanolic acid activates the JNK-Sp1-dJ-1 axis to promote mitophagy-mediated neuroprotection in dopaminergic neurons for Parkinson's disease treatment

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Archives of pharmacal research 2025年 1-21页

作者： Han-Bin Yang Chien-Hsing Lee Nguyen Thao Nhung Shih-Ya Hung Ph.D. Program for Aging China Medical University Taichung 40402 Taiwan. Department of Pharmacology School of Post-Baccalaureate Medicine Division of Pharmacology and Traditional Chinese Medicine Graduate Institute of Medicine College of Medicine Kaohsiung Medical University Kaohsiung 807378 Taiwan. Department of Medical Research Kaohsiung Medical University Hospital Kaohsiung 807378 Taiwan. Drug Development and Value Creation Research Center Kaohsiung Medical University Kaohsiung 807378 Taiwan. Department of Biological Science and Technology National Pingtung University of Science and Technology Pingtung 912301 Taiwan. Department of Biological Science and Technology China Medical University Taichung 406040 Taiwan. Department of Pharmacology School of Medicine College of Medicine Kaohsiung Medical University Kaohsiung 80708 Taiwan. shihyahung@mail.cmu.edu.tw. Division of Surgery Department of Medical Research China Medical University Hospital Taichung 40447 Taiwan. shihyahung@mail.cmu.edu.tw. Graduate Institute of Acupuncture Science China Medical University No. 91 Hsueh-Shih Road Taichung 40402 Taiwan. shihyahung@mail.cmu.edu.tw.

Parkinson's disease (Pd) is a prevalent neurodegenerative disorder marked by mitochondrial dysfunction and oxidative stress. Although levodopa remains the gold standard for managing Pd motor symptoms, it lacks neuroprotective and disease-modifying effects, highlighting the need for new neuroprotective therapies. Mitophagy, the selective mitochondrial degradation by autophagy, is critical for neuronal health. Oleanolic acid, a natural hepatoprotective compound, shows uncertain efficacy in Pd treatment. This study investigated the neuroprotective effects and underlying mechanisms of oleanolic acid using the 1-methyl-4-phenylpyridinium (MPP⁺)-induced cellular model and the 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP)-induced mouse model of Pd. In vitro, oleanolic acid demonstrated dopaminergic neuroprotection by reducing mitochondrial dysfunction and reactive oxygen species accumulation in Pd cells. It upregulated the mitophagic protein dJ-1, enhancing the sequestration of damaged mitochondria into autophagosomes by mitophagy. dJ-1 knockdown attenuated oleanolic acid's neuroprotection, confirming dJ-1's role in oleanolic acid's action. In vivo, pre-treatment with oleanolic acid in MPTP-induced Pd mice prevented Pd-like motor symptoms, reduced neuronal death in the substantia nigra, and mitigated striatal neurodegeneration. Post-treatment with oleanolic acid not only reduced these effects but also increased Bcl-2 and dJ-1 levels in the substantia nigra and striatum. In vitro, oleanolic acid activated JNK for Sp1 upregulation and nuclear translocation, which induced dJ-1 expression. Computational modeling predicted that oleanolic acid likely interacts with JNK, suggesting this binding might be necessary for JNK-Sp1-dJ-1 axis activation for mitophagy-driven neuroprotection. These results highlight oleanolic acid's potential as a therapeutic agent in Pd prevention and treatment via the JNK-Sp1-dJ-1 pathway. Further studies are required to validate its efficacy.

关键词： dJ-1 JNK-Sp1 pathway Mitophagy Neuroprotection Oleanolic acid Parkinson’s disease

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development and Validation of an Explainable Machine Learning-Based Prediction Model for drug–Food Interactions from Chemical Structures

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Sensors 2023年第8期23卷 3962-3962页

作者： Kha, Quang-Hien Le, Viet-Huan Hung, Truong Nguyen Khanh Nguyen, Ngan Thi Kim Le, Nguyen Quoc Khanh International Ph.D. Program in Medicine College of Medicine Taipei Medical University Taipei110 Taiwan AIBioMed Research Group Taipei Medical University Taipei110 Taiwan Department of Thoracic Surgery Khanh Hoa General Hospital Nha Trang City65000 Viet Nam Department of Orthopedic and Trauma Cho Ray Hospital Ho Chi Minh City70000 Viet Nam Undergraduate Program of Nutrition Science National Taiwan Normal University Taipei106 Taiwan Professional Master Program in Artificial Intelligence in Medicine College of Medicine Taipei Medical University Taipei110 Taiwan Research Center for Artificial Intelligence in Medicine Taipei Medical University Taipei110 Taiwan Translational Imaging Research Center Taipei Medical University Hospital Taipei110 Taiwan

Possible drug–food constituent interactions (dFIs) could change the intended efficiency of particular therapeutics in medical practice. The increasing number of multiple-drug prescriptions leads to the rise of drug–drug interactions (ddIs) and dFIs. These adverse interactions lead to other implications, e.g., the decline in medicament’s effect, the withdrawals of various medications, and harmful impacts on the patients’ health. However, the importance of dFIs remains underestimated, as the number of studies on these topics is constrained. Recently, scientists have applied artificial intelligence-based models to study dFIs. However, there were still some limitations in data mining, input, and detailed annotations. This study proposed a novel prediction model to address the limitations of previous studies. In detail, we extracted 70,477 food compounds from the FoodB database and 13,580 drugs from the drugBank database. We extracted 3780 features from each drug–food compound pair. The optimal model was eXtreme Gradient Boosting (XGBoost). We also validated the performance of our model on one external test set from a previous study which contained 1922 dFIs. Finally, we applied our model to recommend whether a drug should or should not be taken with some food compounds based on their interactions. The model can provide highly accurate and clinically relevant recommendations, especially for dFIs that may cause severe adverse events and even death. Our proposed model can contribute to developing more robust predictive models to help patients, under the supervision and consultants of physicians, avoid dFI adverse effects in combining drugs and foods for therapy. © 2023 by the authors.

关键词： Machine learning

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A framework for implementing machine learning in healthcare based on the concepts of preconditions and postconditions

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Healthcare Analytics 2023年 3卷 100155-100155页

作者： MacKay, Colin Klement, William Vanberkel, Peter Lamond, Nathan Urquhart, Robin Rigby, Matthew Division of Otolaryngology – Head & Neck Surgery Nova Scotia Health Halifax Canada Interdisciplinary Ph.D. Department Dalhousie University Halifax Canada Faculty of Computer Science Dalhousie University Halifax Canada The Ottawa Hospital Research Institute Ottawa ON Canada Thoracic Surgery The Ottawa Hospital Ottawa ON Canada Department of Industrial Engineering Dalhousie University Halifax Canada Division of Medical Oncology Nova Scotia Health Halifax Canada Department of Community Health and Epidemiology Dalhousie University Halifax Canada Department of Surgery Dalhousie University Halifax Canada

Machine learning is a powerful tool that can be used to solve a wide range of problems in various applications and industries. The healthcare sector has faced specific challenges that have kept machine learning algorithms from becoming as widely and quickly adopted as in other industries. data access and management challenges, ethical considerations, safety, and physician and patient perception present bigger barriers to implementation than model performance. In this paper, we propose adapting and customizing the concept of preconditions and postconditions from software engineering to develop a framework based on required clinical parameters and expected clinical output that will help bridge identified gaps in the implementation of machine learning tools in health care. © 2023 The Author(s)

关键词： Expected clinical output Healthcare Machine learning Postconditions Preconditions Required clinical parameters

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Self-Healable Sandfish Scale-Inspired Scalable Triboelectric Layer for Hybrid Energy Harvesting in desert Environment (Small 4/2025)

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Small 2025年第4期21卷

作者： An-Rong Chen Parag Parashar Manish Kumar Sharma Jing-Siang Shih Hsuan-Yu Yeh Yen-Jui Lin Kuldeep Kaswan Kai-Po Fan Po-Yu Chen Zong-Hong Lin Department of Materials Science and Engineering National Tsing Hua University Hsinchu 30013 Taiwan Department of Biomedical Engineering National Taiwan University Taipei 10617 Taiwan Institute of Biomedical Engineering National Tsing Hua University Hsinchu 30013 Taiwan International Intercollegiate Ph.D. Program National Tsing Hua University Hsinchu 30013 Taiwan

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diterpenoids and Their Glycosides from the Stems ofTinospora crispawith Beta-Cell Protective Activity

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Journal of Natural Products 2023年第6期86卷 1437-1448页

作者： Sio-Hong Lam Hui-Kang Liu Shih-Yuan Chung Jia-Ling Chang Mao-Xuan Hong Sheng-Chu Kuo Chih-Chuang Liaw School of Pharmacy College of Medicine National Cheng Kung University Tainan 70101 Taiwan Division of Basic Chinese Medicine National Research Institute of Chinese Medicine Ministry of Health and Welfare Taipei 112 Taiwan Ph.D. Program in the Clinical Drug Development of Herbal Medicine Taipei Medical University Taipei 11031 Taiwan Graduate Institute of Pharmaceutical Chemistry China Medical University Taichung 404 Taiwan Department of Marine Biotechnology and Resource National Sun Yat-sen University Kaohsiung 80424 Taiwan Department of Science Application and Dissemination National Taichung University of Education Taichung 403 Taiwan Graduate Institute of Natural Products Kaohsiung Medical University Kaohsiung 807 Taiwan Graduate Institute of Pharmacognosy Taipei Medical University Taipei 11031 Taiwan

Seven previously undescribed diterpenoids, tinocrisposides A–d (1–4) and borapetic acids A (5), B (6), and C (7), together with 16 known compounds, were isolated from the stem ofTinospora crispa(Menispermaceae). The structures of the new isolates were elucidated by spectroscopic and chemical methods. The β-cell protective effect of the tested compounds was examined on insulin-secreting BRIN-Bd11 cells under dexamethasone treatment. diterpene glycosides12,14–16, and18presented a substantial protective effect on BRIN-Bd11 cells treated with dexamethasone in a dose-dependent manner. Compounds4and17with two sugar moieties exhibited clear protective effects on β-cells.

关键词： Alkyls Carbohydrates Carbon Chemical structure Nuclear magnetic resonance spectroscopy

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Electrochemical detection of antimalarial drug (Amodiaquine) using dy-MOF@MWCNTs composites to prevent erythrocytic stages of plasmodium species in human bodies

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Microchemical Journal 2024年 202卷

作者： Peter, X. Thatheyus Kuo, Chih-Yu Malar, P. Govindasamy, Mani Rajaji, Umamaheswari Yusuf, Kareem Thinfilm Photovoltaics Laboratory Department of Physics and Nanotechnology SRM Institute of Science and Technology Tamil Nadu Kattankulathur 603203 India Department of Chemical Engineering and Biotechnology National Taipei University of Technology Taipei Taiwan International Ph.D. Program in Innovative Technology of Biomedical Engineering and Medical Devices Ming Chi University of Technology New Taipei City 243303 Taiwan Research Center for Intelligence Medical Devices Ming Chi University of Technology New Taipei City 243303 Taiwan Centre for Applied Research Saveetha School of Engineering Saveetha Institute of Medical and Technical Sciences (SIMATS) Tamil Nadu Chennai 602105 India Department of Chemistry College of Science King Saud University Riyadh 11451 Saudi Arabia

Herein, we report on fabrication of dysprosium-based metal–organic framework (dy-MOF)@multiwalled carbon nanotubes (MWCNT) composites modified with glassy carbon electrode (dy-MOF@MWCNT/GC) as a working electrode for Antimalarial drug detection. dy-MOF@MWCNT composites was prepared by sonochemical process along with ultrasonication. The composite structure, phase purity, morphology and composition of the composites were confirmed by X-ray diffraction, Scanning electron microscope, and X-ray photoelectron spectroscopy. Further, dy@MWCNT composites were deposited on a glassy carbon electrode by drop casting method, and used as an electrode material to efficiently detect Amodiaquine (Add) by electrochemical techniques such as CV and dPV. The as-prepared dy@MWCNT composite material showed the oxidation peak current of Add to be ∼ 60 % higher than other unmodified GC electrodes and showed a low charge transfer resistance (R_ct) of 24 Ω. The dy@MWCNT provided a broad linear range of 0.4 to 20 µM with a limit of detection of 0.377 μM and sensitivity of 1.817 μA.μM⁻¹ for the detection of Add. According to the ph study, the amount of electrons and protons involved in the electrochemical processes of Add was calculated and a plausible mechanism for Add electro-oxidation was proposed. Thus, the prepared sensor exhibited practical usefulness by determining the Add drug in human urine samples. Hence, the results shows that the dy@MWCNT- modified sensor has good electrocatalytic activity for the redox of Add. © 2024 Elsevier B.V.

关键词： Amodiaquine Antimalarial drug Carbon nanomaterials Electrochemical sensor Metal organic framework

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Boron carbide decorated tungsten disulfide nanosheet composite for determination of chloramphenicol in food and pharmaceutical samples

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Microchemical Journal 2024年 203卷

作者： Senthilkumar, dhayanithi Kuo, Chih-Yu Aldossari, Samar A. Govindasamy, Mani Department of Chemical Engineering and Biotechnology National Taipei University of Technology Taipei 10608 Taiwan Department of Chemistry P. O. Box 2455 College of Science King Saud University Riyadh 11451 Saudi Arabia Centre for Applied Research Saveetha School of Engineering Saveetha Institute of Medical and Technical Sciences (SIMATS) Tamil Nadu Chennai 602105 India International Ph.D. Program in Innovative Technology of Biomedical Engineering and Medical Devices Ming Chi University of Technology New Taipei City 243303 Taiwan Research Center for Intelligence Medical Devices Ming Chi University of Technology New Taipei City 243303 Taiwan

Making the nanocomposites of metal oxides or metal sulfides with carbon source materials has a huge impact on the electrochemical determination of toxic chemicals. To determine the adverse side effects of the antibiotics, electrochemical sensors have been used as they can peek into the sensitivity of the drug sample. This work has done the sensitive amperometric evaluation of a chloramphenicol antibiotic by modifying the electrode of tungsten disulfide decorated boron carbide. Here, tungsten disulfide (WS₂) nanosheets and boron carbide (B₄C) materials were synthesized by conventional methods which give a good amount of yield. The composite was prepared by the green and cost-effective sonochemical approach with good morphology. The conductivity of the nanocomposite and the response to chloramphenicol were determined by cyclic voltammetry. The sensitivity, limit of detection (LOd), and the linear range were observed by the highly sensitive amperometric technique. From the amperometric analysis, the prepared nanocomposite shows nominal LOd as a 17.4 nM, a broad linear range (0.025–1134.6 µM), and good sensitivity of 1.52 µA µM⁻¹ cm⁻². Practicability of the modified sensor was studied in food and pharmaceutical samples with adequate recovery performances. Moreover, the modified electrode shows good stability, repeatability, reproducibility, and anti-interfering properties against the array of food and biological interferences. © 2024 Elsevier B.V.

关键词： Amperometric technique Antibiotic detection Boron carbide Food quality test Health analysis Tungsten disulfide

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Parameter Identifiability and Input-Output Equations

arXiv

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arXiv 2020年

作者： Ovchinnikov, Alexey Pogudin, Gleb Thompson, Peter Department of Mathematics CUNY Queens College and Ph.D. Programs in Mathematics and Computer Science CUNY Graduate Center NY United States LIX CNRS École Polytechnique Institute Polytechnique de Paris France Department of Computer Science National Research University Higher School of Economics Moscow Russia Courant Institute of Mathematical Sciences New York University New York United States Ph.D. Program in Mathematics CUNY Graduate Center New York United States

Structural parameter identifiability is a property of a differential model with parameters that allows for the parameters to be determined from the model equations in the absence of noise. One of the standard approaches to assessing this problem is via input-output equations and, in particular, characteristic sets of differential ideals. The precise relation between identifiability and input-output identifiability is subtle. The goal of this note is to clarify this relation. The main results are: • identifiability implies input-output identifiability;• these notions coincide if the model does not have rational first integrals;• the field of input-output identifiable functions is generated by the coefficients of a "minimal" characteristic set of the corresponding differential ideal. We expect that some of these facts may be known to the experts in the area, but we are not aware of any articles in which these facts are stated precisely and rigorously proved. Copyright © 2020, The Authors. All rights reserved.

关键词： Rational functions

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Occurrence and fate of pharmaceutical pollutants in wastewater: Insights on ecotoxicity, health risk, and state–of–the-art removal

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Chemosphere 2024年 354卷 141678页

作者： Nguyen, Minh-Ky Lin, Chitsan Bui, Xuan-Thanh Rakib, Md. Refat Jahan Nguyen, Hoang-Lam Truong, Quoc-Minh Hoang, Hong-Giang Tran, Huu-Tuan Malafaia, Guilherme Idris, Abubakr M. Faculty of Environment and Natural Resources Nong Lam University Hamlet 6 Linh Trung Ward Thu Duc City Ho Chi Minh City700000 Viet Nam Ph.D. Program in Maritime Science and Technology National Kaohsiung University of Science and Technology Kaohsiung81157 Taiwan Department of Marine Environmental Engineering National Kaohsiung University of Science and Technology Kaohsiung81157 Taiwan Linh Trung Ward Thu Duc City Ho Chi Minh City700000 Viet Nam Ho Chi Minh City700000 Viet Nam Department of Environmental Science and Management North South University Dhaka Bashundhara1229 Bangladesh Department of Civil Engineering McGill University Montreal Canada Faculty of Management Science Thu Dau Mot University Binh Duong 75000 Viet Nam Faculty of Medicine Dong Nai Technology University Dong Nai Bien Hoa76100 Viet Nam Laboratory of Ecology and Environmental Management Science and Technology Advanced Institute Van Lang University Ho Chi Minh City700000 Viet Nam Faculty of Applied Technology School of Engineering and Technology Van Lang University Ho Chi Minh City700000 Viet Nam Post-Graduation Program in Ecology Conservation and Biodiversity Federal University of Uberlândia MG Uberlândia Brazil Post-Graduation Program in Biotechnology and Biodiversity Federal University of Goiás GO Goiânia Brazil Post-Graduation Program in Conservation of Cerrado Natural Resources Goiano Federal Institute GO Urutaí Brazil Department of Chemistry College of Science King Khalid University Abha62529 Saudi Arabia King Khalid University Abha62529 Saudi Arabia

pharmaceutical active compound (phAC) residues are considered an emerging micropollutant that enters the aquatic environment and causes harmful ecotoxicity. The significant sources of phACs in the environment include the pharmaceutical industry, hospital streams, and agricultural wastes (animal husbandry). Recent investigations demonstrated that wastewater treatment plants (WWTPs) are an important source of phACs discharging ecosystems. Several commonly reported that phACs are detected in a range level from ng L−1 to μg L−1 concentration in WWTP effluents. These compounds can have acute and chronic adverse impacts on natural wildlife, including flora and fauna. The approaches for phAC removals in WWTPs include bioremediation, adsorption (e.g., biochar, chitosan, and graphene), and advanced oxidation processes (AOPs). Overall, adsorption and AOPs can effectively remove phACs from wastewater aided by oxidizing radicals. Heterogeneous photocatalysis has also proved to be a sustainable solution. Bioremediation approaches such as membrane bioreactors (MBRs), constructed wetlands (CWs), and microalgal-based systems were applied to minimize pharmaceutical pollution. Noteworthy, applying MBRs has illustrated high removal efficiencies of up to 99%, promising prospective future. However, WWTPs should be combined with advanced solutions, e.g., AOPs/photodegradation, microalgae–bacteria consortia, etc., to treat and minimize their accumulation. More effective and novel technologies (e.g., new generation bioremediation) for phAC degradation must be investigated and specially designed for a low-cost and full-scale. Investigating green and eco-friendly phACs with advantages, e.g., low persistence, no bioaccumulation, less or non-toxicity, and environmentally friendly, is also necessary. © 2024 Elsevier Ltd

关键词： Microalgae

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