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Article: Decrypting orphan GPCR drug discovery via multitask learning.

Huang, Wei-Cheng / Lin, Wei-Ting / Hung, Ming-Shiu / Lee, Jinq-Chyi / Tung, Chun-Wei

2024 Volume 16, Issue 1, Page(s) 10

Abstract: The drug discovery of G protein-coupled receptors (GPCRs) superfamily using computational models is often limited by the availability of protein three-dimensional (3D) structures and chemicals with experimentally measured bioactivities. Orphan GPCRs ... ...

Abstract	The drug discovery of G protein-coupled receptors (GPCRs) superfamily using computational models is often limited by the availability of protein three-dimensional (3D) structures and chemicals with experimentally measured bioactivities. Orphan GPCRs without known ligands further complicate the process. To enable drug discovery for human orphan GPCRs, multitask models were proposed for predicting half maximal effective concentrations (EC
Language	English
Publishing date	2024-01-23
Publishing country	England
Document type	Journal Article
ZDB-ID	2486539-4
ISSN	1758-2946
ISSN	1758-2946
DOI	10.1186/s13321-024-00806-3
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Article ; Online: Natural fucoidans inhibit coronaviruses by targeting viral spike protein and host cell furin.

Yang, Cheng-Wei / Hsu, Hsing-Yu / Lee, Yue-Zhi / Jan, Jia-Tsrong / Chang, Sui-Yuan / Lin, Yi-Ling / Yang, Ruey-Bing / Chao, Tai-Ling / Liang, Jian-Jong / Lin, Shu-Jing / Liao, Chun-Che / Chang, Chih-Shin / Sytwu, Huey-Kang / Hung, Ming-Shiu / Chen, Chiung-Tong / Lee, Shiow-Ju

Biochemical pharmacology

2023 Volume 215, Page(s) 115688

Abstract: Fucoidans are a class of long chain sulfated polysaccharides and have multiple biological functions. Herein, four natural fucoidans extracted from Fucus vesiculosus, F. serratus, Laminaria japonica and Undaria pinnatifida, were tested for their HCoV-OC43 ...

Abstract	Fucoidans are a class of long chain sulfated polysaccharides and have multiple biological functions. Herein, four natural fucoidans extracted from Fucus vesiculosus, F. serratus, Laminaria japonica and Undaria pinnatifida, were tested for their HCoV-OC43 inhibition and found to demonstrate EC
MeSH term(s)	Animals ; Cricetinae ; SARS-CoV-2/metabolism ; COVID-19 ; Spike Glycoprotein, Coronavirus/metabolism ; Furin/metabolism ; Coronavirus OC43, Human
Chemical Substances	fucoidan (9072-19-9) ; spike protein, SARS-CoV-2 ; Spike Glycoprotein, Coronavirus ; Furin (EC 3.4.21.75)
Language	English
Publishing date	2023-07-21
Publishing country	England
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	208787-x
ISSN	1873-2968 ; 0006-2952
ISSN (online)	1873-2968
ISSN	0006-2952
DOI	10.1016/j.bcp.2023.115688
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Zs.A 19: Show issues

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Article ; Online: Modulating the affinity and signaling bias of cannabinoid receptor 1 antagonists.

Hsiao, Wen-Chi / Hsin, Kun-Yi / Wu, Zhong-Wei / Song, Jen-Shin / Yeh, Yen-Nan / Chen, Yan-Fu / Tsai, Chia-Hua / Chen, Pei-Hsuan / Shia, Kak-Shan / Chang, Chun-Ping / Hung, Ming-Shiu

Bioorganic chemistry

2022 Volume 130, Page(s) 106236

Abstract: Cannabinoid receptor 1 (CB1) is a G protein-coupled receptor and a therapeutic target for metabolic disorders. Numerous CB1 antagonists have been developed, but their functional selectivities and bias towards G protein or β-arrestin signaling have not ... ...

Abstract	Cannabinoid receptor 1 (CB1) is a G protein-coupled receptor and a therapeutic target for metabolic disorders. Numerous CB1 antagonists have been developed, but their functional selectivities and bias towards G protein or β-arrestin signaling have not been systemically characterized. In this study, we analyzed the binding affinities and downstream signaling of two series of pyrazole derivatives bearing 1-aminopiperidine (Series I) or 4-aminothiomorpholine 1,1-dioxide (Series II) moieties, as well as the well-known CB1 antagonists rimonabant and taranabant. Analyses of the results for the Series I and II derivatives showed that minor structure modifications to their functional groups and especially the incorporation of 1-aminopiperidine or 4-aminothiomorpholine 1,1-dioxide motifs can profoundly affect their bias toward G protein or β-arrestin signaling, and that their binding affinity and functional activity can be disassociated. Docking and molecular dynamics simulations revealed that the binding modes of Series I and II antagonists differed primarily in that Series I antagonists formed an additional hydrogen bond with the receptor, whereas those in Series II formed a water bridge.
MeSH term(s)	Cannabinoid Receptor Antagonists/pharmacology ; Cannabinoid Receptor Antagonists/metabolism ; Rimonabant ; beta-Arrestins/metabolism ; GTP-Binding Proteins/metabolism ; Receptors, Cannabinoid/metabolism
Chemical Substances	Cannabinoid Receptor Antagonists ; Rimonabant (RML78EN3XE) ; beta-Arrestins ; GTP-Binding Proteins (EC 3.6.1.-) ; Receptors, Cannabinoid
Language	English
Publishing date	2022-11-04
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	120080-x
ISSN	1090-2120 ; 0045-2068
ISSN (online)	1090-2120
ISSN	0045-2068
DOI	10.1016/j.bioorg.2022.106236
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Zs.A 4207: Show issues

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Article ; Online: A structure-function approach identifies L-PGDS as a mediator responsible for glucocorticoid-induced leptin expression in adipocytes.

Yeh, Yen-Nan / Hsin, Kun-Yi / Zimmer, Andreas / Lin, Lih-Yuan / Hung, Ming-Shiu

Biochemical pharmacology

2019 Volume 166, Page(s) 203–211

Abstract: Leptin is an adipokine predominantly secreted by adipocytes and has many physiological roles, including in energy homeostasis. We identified that AM630, a cannabinoid receptor 2 (CB2) antagonist, down-regulated leptin expression in mature adipocytes ... ...

Abstract	Leptin is an adipokine predominantly secreted by adipocytes and has many physiological roles, including in energy homeostasis. We identified that AM630, a cannabinoid receptor 2 (CB2) antagonist, down-regulated leptin expression in mature adipocytes differentiated from either stromal vascular fractions isolated from inguinal fat pads of C57BL/6J mice or 3T3-L1 preadipocytes. However, the leptin-suppressive effects of AM630 preserved in CB2-deficient adipocytes indicated the off-target activity of AM630 in leptin expression. Pharmacological and genetic studies, cheminformatics, and docking simulation were applied to identify the potential protein target of AM630 that modulates leptin expression in differentiated primary preadipocytes. Screening of the reported off-targets of AM630 identified a synthetic cannabinoid WIN55212-2 exerting the same function. Target deconvolution and docking simulation suggested that AM630 and WIN55212-2 were both inhibitors of lipocalin-type prostaglandin D2 synthase (L-PGDS). Further studies showed that L-PGDS positively regulates leptin expression. Although glucocorticoid and aldosterone were previously reported to induce expression of both L-PGDS and leptin, our data demonstrated that L-PGDS mediates only glucocorticoid-induced leptin expression in differentiated primary preadipocytes. No effect was observed after aldosterone treatment. This newly discovered glucocorticoid - L-PGDS - leptin pathway may provide insights into current clinical use of glucocorticoid and management of their undesired effects such as obesity.
MeSH term(s)	3T3-L1 Cells ; Adipocytes/drug effects ; Adipocytes/metabolism ; Adipogenesis/drug effects ; Adipogenesis/physiology ; Animals ; Dose-Response Relationship, Drug ; Gene Expression ; Glucocorticoids/pharmacology ; Indoles/metabolism ; Indoles/pharmacology ; Intramolecular Oxidoreductases/metabolism ; Leptin/agonists ; Leptin/antagonists & inhibitors ; Leptin/biosynthesis ; Lipocalins/metabolism ; Male ; Mice ; Mice, Inbred C57BL ; Mice, Knockout ; Protein Structure, Secondary ; Structure-Activity Relationship
Chemical Substances	Glucocorticoids ; Indoles ; Leptin ; Lipocalins ; Intramolecular Oxidoreductases (EC 5.3.-) ; prostaglandin R2 D-isomerase (EC 5.3.99.2) ; iodopravadoline (U1LNJ6NBKA)
Language	English
Publishing date	2019-05-24
Publishing country	England
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	208787-x
ISSN	1873-2968 ; 0006-2952
ISSN (online)	1873-2968
ISSN	0006-2952
DOI	10.1016/j.bcp.2019.05.022
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Zs.A 19: Show issues

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Article ; Online: Continued usage of smart wearable devices (SWDs): cross-level analysis of gamification and network externality.

Tsai, Juin-Ming / Hung, Shiu-Wan / Lin, Guan-Ting

Electronic markets

2022 Volume 32, Issue 3, Page(s) 1661–1676

Abstract: With the increasing maturity of mobile networks and big data technology, smart wearable devices (SWDs) are regarded as a new technology trend following smartphones. Especially during the COVID-19 pandemic, the increase in telework and the growing ... ...

Abstract	With the increasing maturity of mobile networks and big data technology, smart wearable devices (SWDs) are regarded as a new technology trend following smartphones. Especially during the COVID-19 pandemic, the increase in telework and the growing interest in self-health monitoring have greatly promoted the market growth of SWDs. This study aimed to investigate the factors affecting the continued use of SWDs. A cross-level analysis model that integrates technical characteristics, gamification theory, perceived value theory, and network externality was constructed. A hierarchical linear model was employed to evaluate the data and test it against the hypotheses. The empirical results showed that, at the individual level, gamification enhances users' value perceptions. Users pay more attention to rewards in gamification than to competition. Rewards were also found to effectively promote the users' value perception and increase the intention to continue using the device. At the group level, the effect of network externality significantly influences the intention to continue using SWDs. Moreover, SWDs are associated with the phenomenon by which consumers conspicuously display and highlight their own characteristics, and this attribute is also a crucial factor enticing consumers to continue using SWDs. Developers should therefore establish clear product positioning and strengthen interactivity as early as possible to build a loyal customer base.
Language	English
Publishing date	2022-08-09
Publishing country	Germany
Document type	Journal Article
ZDB-ID	2017342-8
ISSN	1422-8890 ; 1019-6781
ISSN (online)	1422-8890
ISSN	1019-6781
DOI	10.1007/s12525-022-00575-7
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Article ; Online: Effectiveness of the Huddles in Improving the Patient Safety Attitudes Among Clinical Team Members.

Lai, Yi-Hung / Chang, Ching-Wein / Wu, Ming-Ju / Chen, Hsin-Hua / Lin, Shih-Ping / Chin, Chun-Shih / Lin, Cheng-Hsien / Shiu, Sz-Iuan / Wu, Chun-Yi / Lin, Ying-Cheng / Chen, Hui-Chi / Hou, Shu-Chin / Lin, Hung-Ru

Quality management in health care

2024

Abstract: Background and objectives: Huddles among members of interdisciplinary medical teams involve short stand-up sessions and allow team members to focus on existing or emerging patient safety issues, thereby facilitating team communication. Hospital managers ...

Abstract	Background and objectives: Huddles among members of interdisciplinary medical teams involve short stand-up sessions and allow team members to focus on existing or emerging patient safety issues, thereby facilitating team communication. Hospital managers are able to recognize the current situation of the organization through patient safety attitudes, strengthen team members' awareness of patient safety, and improve the quality of health care. The purpose of this study was to determine the effects of huddles on improving team members' attitudes toward patient safety. Methods: We used a quasi-experimental design and selected 2 adult wards with similar properties as the experimental and comparison groups by convenience sampling. Data collection was from December 1, 2021, to June 30, 2022, at a teaching hospital in central Taiwan. Team members of the ward performing huddles formed the experimental group, and they participated 2 times per week in 15-minute huddles from 8:15 to 8:30 am for a total of 4 weeks. The comparison group adopted the routine team care process. Both groups completed the Safety Attitudes Questionnaire during the pre- and post-tests of the study. Results: The experimental group scored significantly higher in the post-test than in the pre-test in all aspects of safety attitudes, with the exception of stress recognition. These improved aspects were teamwork climate (76.47 ± 15.90 vs 83.29 ± 13.52, P < .001), safety climate (75.94 ± 16.14 vs 82.81 ± 13.74, P < .001), job satisfaction (74.34 ± 20.22 vs 84.40 ± 17.22, P <.001), perceptions of management (78.02 ± 19.99 vs 85.51 ± 15.97, P < .001), and working conditions (78.85 ± 17.87 vs 86.81 ± 14.74, P < .001). Conclusion: Through the huddles, clinical team members improved their understanding of different aspects of safety attitudes. Such a study provided ward units with real-time improvement and adjustment in terms of patient safety during their medical work processes with better patient safety.
Language	English
Publishing date	2024-03-25
Publishing country	United States
Document type	Journal Article
ZDB-ID	1162319-6
ISSN	1550-5154 ; 1063-8628
ISSN (online)	1550-5154
ISSN	1063-8628
DOI	10.1097/QMH.0000000000000455
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Article ; Online: Association between functional status and ocular surface disease among local elderly population in Hong Kong.

Choy, Bonnie Nga Kwan / Pang, Jason Chun Sum / Zhu, Ming Ming / Ng, Alex Lap Ki / Chan, Jonathan Cheuk Hung / Fan, Michelle Ching Yim / Iu, Lawrence Pui Leung / Chiu, Patrick Ka Chun / Kwan, Joseph Shiu Kwong / Lai, Jimmy Shiu Ming

Seminars in ophthalmology

2021 Volume 36, Issue 7, Page(s) 497–500

Abstract: ... ...

Abstract	Purpose
MeSH term(s)	Activities of Daily Living ; Aged ; Dry Eye Syndromes/diagnosis ; Dry Eye Syndromes/epidemiology ; Functional Status ; Hong Kong/epidemiology ; Humans ; Meibomian Glands ; Middle Aged ; Tears
Language	English
Publishing date	2021-02-19
Publishing country	England
Document type	Journal Article
ZDB-ID	632820-9
ISSN	1744-5205 ; 0882-0538
ISSN (online)	1744-5205
ISSN	0882-0538
DOI	10.1080/08820538.2021.1890149
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Article: Effects of statins on the inducible degrader of low-density lipoprotein receptor in familial hypercholesterolemia.

Chan, Melody Lok-Yi / Shiu, Sammy Wing-Ming / Cheung, Ching-Lung / Yu-Hung Leung, Anskar / Tan, Kathryn Choon-Beng

Endocrine connections

2022 Volume 11, Issue 6

Abstract: The inducible degrader of low-density lipoprotein receptor (IDOL) is an E3 ubiquitin ligase involved in the post-transcriptional regulation of LDL receptor (LDLR). Statins lower plasma LDL by activating transcription of hepatic LDLR expression, and we ... ...

Abstract	The inducible degrader of low-density lipoprotein receptor (IDOL) is an E3 ubiquitin ligase involved in the post-transcriptional regulation of LDL receptor (LDLR). Statins lower plasma LDL by activating transcription of hepatic LDLR expression, and we have determined whether statins modulate IDOL expression and influence LDLR protein abundance. IDOL expression in monocytes and serum IDOL level was determined in statin-treated familial hypercholesterolemia (FH) patients and compared with control subjects. Serum IDOL level was also evaluated in a group of untreated FH patients before and after the initiation of statin. The mechanism underlying the inhibitory effect of statin on IDOL expression was investigated in vitro. In statin-treated FH patients, serum IDOL level and its expression in monocytes was reduced compared with control (P < 0.05). In contrast, untreated FH patients had higher serum levels of IDOL and proprotein convertase subtilisin/kexintype 9 (PCSK9) than control (P < 0.05), and serum IDOL level decreased after statin therapy (P < 0.05) whereas an increase was observed in PCSK9 level (P < 0.01). In vitro, atorvastatin significantly decreased IDOL abundance in a dose-dependent manner in cultured macrophages and hepatocytes with a concomitant increase in LDLR expression. The transcription of IDOL was restored by adding either an LXR agonist T0901317 or oxysterol 22(R)-hydroxycholesterol, indicating that statin inhibited IDOL expression by reducing LXR activation. The LXR-IDOL-LDLR axis can be modulated by statins in vitro and in vivo. Statins inhibit IDOL expression by reducing LXR activation and upregulate LDLR, and statins exert the opposite effect on IDOL and PCSK9.
Language	English
Publishing date	2022-06-15
Publishing country	England
Document type	Journal Article
ZDB-ID	2668428-7
ISSN	2049-3614
ISSN	2049-3614
DOI	10.1530/EC-22-0019
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Article ; Online: Maintaining Secure Level on Symmetric Encryption under Quantum Attack

Hung-Jr Shiu / Chao-Tung Yang / Yun-Ru Tsai / Wei-Chung Lin / Chun-Ming Lai

Applied Sciences, Vol 13, Iss 6734, p

2023 Volume 6734

Abstract: Quantum computing is currently being researched in many countries, and if implemented in the near future, it may pose a threat to existing encryption standards. In the quantum computer environment, asymmetric encryption can be solved by Shor’s Algorithm ... ...

Abstract	Quantum computing is currently being researched in many countries, and if implemented in the near future, it may pose a threat to existing encryption standards. In the quantum computer environment, asymmetric encryption can be solved by Shor’s Algorithm in polynomial time, and the difficulty of breaking symmetric encryption using brute force is reduced from N times to square root N times by Grover’s Algorithm. We take the Advanced Encryption Standard as the theme and increase the key length from the original standard 192 bits and 256 bits to 384 bits and 512 bits, respectively, in order to maintain the security level of AES 192/256 under the environment of quantum computing, so we propose the key schedule of AES 384/512, and write the software in C++ on FPGA. The experimental results show that our scheme can achieve Level III and Level V security levels in a quantum computer attack environment. In addition to increasing the length of the key, we use the LUT method in the process of writing SubBytes to replace the array and speed up the computation to optimize the execution speed. In addition, the proposed scheme is still based on 128-bit computing blocks, rather than computing blocks in larger blocks.
Keywords	quantum computing ; Shor’s algorithm ; Grover’s algorithm ; advanced encryption standard ; strict avalanche criterion ; Rijndael algorithm ; Technology ; T ; Engineering (General). Civil engineering (General) ; TA1-2040 ; Biology (General) ; QH301-705.5 ; Physics ; QC1-999 ; Chemistry ; QD1-999
Subject code	303
Language	English
Publishing date	2023-05-01T00:00:00Z
Publisher	MDPI AG
Document type	Article ; Online
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Article ; Online: Caveolin-1 Secreted from Adipose Tissues and Adipocytes Functions as an Adipogenesis Enhancer.

Chang, Chia-Chu / Chen, Chen-Yu / Wen, Hui-Chin / Huang, Chih-Yang / Hung, Ming-Shiu / Lu, Hsi-Chi / Chen, Woan-Ling / Chang, Chung-Ho

Obesity (Silver Spring, Md.)

2017 Volume 25, Issue 11, Page(s) 1932–1940

Abstract: Objective: Caveolin-1 (Cav-1) is expressed abundantly in adipose tissue and involved in many physiological processes. While Cav-1 has been reported to be secreted in pancreatic acinar cells and LNCaP prostate cancer cells, its secretion from adipose ... ...

Abstract	Objective: Caveolin-1 (Cav-1) is expressed abundantly in adipose tissue and involved in many physiological processes. While Cav-1 has been reported to be secreted in pancreatic acinar cells and LNCaP prostate cancer cells, its secretion from adipose tissue awaits investigation. Methods: Cav-1 secretion from 3T3-L1 adipocytes and fat tissues from normal chow diet- and high-fat diet (HFD)-fed mice was measured. Functions and uptake of secreted Cav-1 proteins were assessed by adding Cav-1 back to preadipocytes and LNCaP cells. Results: Cav-1 secretion was evident in adipose tissues and were substantially promoted in HFD-fed mice. Cav-1 was detectable in the conditioned media of 3T3-L1 adipocytes but not preadipocytes. Hypertrophied adipocytes induced by glucose and fatty acids secreted more Cav-1, suggesting that hypertrophied adipocytes were responsible for enhanced Cav-1 secretion in obese mice. Secreted Cav-1 was taken up by preadipocytes and LNCaP cells. 3T3-L1 preadipocytes overexpressing Cav-1 were better differentiated, suggesting that secreted Cav-1 may promote adipogenesis. Hypertrophied 3T3-L1 adipocytes enhanced ERK1/2 activation, and the attenuation of ERK1/2 activity by PD98059 inhibited Cav-1 secretion. Conclusions: Cav-1 is actively secreted from adipocytes as a putative adipogenesis enhancer. Hypertrophied adipocytes secrete Cav-1 via ERK1/2-dependent mechanisms to promote adipogenesis, thus establishing a vicious cycle.
Language	English
Publishing date	2017-11
Publishing country	United States
Document type	Journal Article
ZDB-ID	2230457-5
ISSN	1930-739X ; 1071-7323 ; 1930-7381
ISSN (online)	1930-739X
ISSN	1071-7323 ; 1930-7381
DOI	10.1002/oby.21970
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