1.Advances in application of small-molecule compounds in neuronal reprogramming.
Zi-Wei DAI ; Hong LIU ; Yi-Min YUAN ; Jing-Yi ZHANG ; Shang-Yao QIN ; Zhi-Da SU
Acta Physiologica Sinica 2025;77(1):181-193
Neuronal reprogramming is an innovative technique for converting non-neuronal somatic cells into neurons that can be used to replace lost or damaged neurons, providing a potential effective therapeutic strategy for central nervous system (CNS) injuries or diseases. Transcription factors have been used to induce neuronal reprogramming, while their reprogramming efficiency is relatively low, and the introduction of exogenous genes may result in host gene instability or induce gene mutation. Therefore, their future clinical application may be hindered by these safety concerns. Compared with transcription factors, small-molecule compounds have unique advantages in the field of neuronal reprogramming, which can overcome many limitations of traditional transcription factor-induced neuronal reprogramming. Here, we review the recent progress in the research of small-molecule compound-mediated neuronal reprogramming and its application in CNS regeneration and repair.
Humans
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Cellular Reprogramming/drug effects*
;
Neurons/cytology*
;
Animals
;
Transcription Factors
;
Small Molecule Libraries/pharmacology*
;
Nerve Regeneration
2.Expert Consensus on Rational Use and Monitoring of Small Molecule Targeted Drugs for Lung Cancer.
Chinese Journal of Lung Cancer 2025;28(4):245-255
The application of small molecule targeted drugs for lung cancer has significantly improved the survival of lung cancer patients. However, these drugs have a wide variety of types, fast development and market launch of new drugs, complex adverse reactions, and are mostly used at home, which increases the risk of irrational drug use. At the same time, insufficient monitoring of efficacy and safety is also prone to occur, ultimately affecting treatment outcomes. This consensus focuses on 43 small molecule targeted drugs or combinations for lung cancer, providing standardized recommendations for rational drug use and monitoring of efficacy/adverse reactions in clinical practice. The recommendations are regarding drug selection, dosage adjustment, efficacy monitoring, adverse reaction monitoring, and improvement of patient compliance. This consensus aims to improve the rational use and efficacy/safety monitoring quality of small molecule targeted drugs for lung cancer, ensure the effectiveness and safety of drug treatment, prolong the survival of lung cancer patients and improve their quality of life.
.
Humans
;
Lung Neoplasms/drug therapy*
;
Antineoplastic Agents/adverse effects*
;
Consensus
;
Molecular Targeted Therapy
;
Drug Monitoring
;
Small Molecule Libraries/therapeutic use*
3.Advances in small molecule representations and AI-driven drug research: bridging the gap between theory and application.
Junxi LIU ; Shan CHANG ; Qingtian DENG ; Yulian DING ; Yi PAN
Chinese Journal of Natural Medicines (English Ed.) 2025;23(11):1391-1408
Artificial intelligence (AI) researchers and cheminformatics specialists strive to identify effective drug precursors while optimizing costs and accelerating development processes. Digital molecular representation plays a crucial role in achieving this objective by making molecules machine-readable, thereby enhancing the accuracy of molecular prediction tasks and facilitating evidence-based decision making. This study presents a comprehensive review of small molecular representations and AI-driven drug discovery downstream tasks utilizing these representations. The research methodology begins with the compilation of small molecule databases, followed by an analysis of fundamental molecular representations and the models that learn these representations from initial forms, capturing patterns and salient features across extensive chemical spaces. The study then examines various drug discovery downstream tasks, including drug-target interaction (DTI) prediction, drug-target affinity (DTA) prediction, drug property (DP) prediction, and drug generation, all based on learned representations. The analysis concludes by highlighting challenges and opportunities associated with machine learning (ML) methods for molecular representation and improving downstream task performance. Additionally, the representation of small molecules and AI-based downstream tasks demonstrates significant potential in identifying traditional Chinese medicine (TCM) medicinal substances and facilitating TCM target discovery.
Artificial Intelligence
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Drug Discovery/methods*
;
Humans
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Machine Learning
;
Medicine, Chinese Traditional
;
Small Molecule Libraries/chemistry*
4.Resources for assigning MeSH IDs to Japanese medical terms
Genomics & Informatics 2019;17(2):e16-
Medical Subject Headings (MeSH), a medical thesaurus created by the National Library of Medicine (NLM), is a useful resource for natural language processing (NLP). In this article, the current status of the Japanese version of Medical Subject Headings (MeSH) is reviewed. Online investigation found that Japanese-English dictionaries, which assign MeSH information to applicable terms, but use them for NLP, were found to be difficult to access, due to license restrictions. Here, we investigate an open-source Japanese-English glossary as an alternative method for assigning MeSH IDs to Japanese terms, to obtain preliminary data for NLP proof-of-concept.
Asian Continental Ancestry Group
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Humans
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Licensure
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Medical Subject Headings
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Methods
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National Library of Medicine (U.S.)
;
Natural Language Processing
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Vocabulary, Controlled
5.Stress and Heart Rate Variability: A Meta-Analysis and Review of the Literature.
Hye Geum KIM ; Eun Jin CHEON ; Dai Seg BAI ; Young Hwan LEE ; Bon Hoon KOO
Psychiatry Investigation 2018;15(3):235-245
OBJECTIVE: Physical or mental imbalance caused by harmful stimuli can induce stress to maintain homeostasis. During chronic stress, the sympathetic nervous system is hyperactivated, causing physical, psychological, and behavioral abnormalities. At present, there is no accepted standard for stress evaluation. This review aimed to survey studies providing a rationale for selecting heart rate variability (HRV) as a psychological stress indicator. METHODS: Term searches in the Web of Science®, National Library of Medicine (PubMed), and Google Scholar databases yielded 37 publications meeting our criteria. The inclusion criteria were involvement of human participants, HRV as an objective psychological stress measure, and measured HRV reactivity. RESULTS: In most studies, HRV variables changed in response to stress induced by various methods. The most frequently reported factor associated with variation in HRV variables was low parasympathetic activity, which is characterized by a decrease in the high-frequency band and an increase in the low-frequency band. Neuroimaging studies suggested that HRV may be linked to cortical regions (e.g., the ventromedial prefrontal cortex) that are involved in stressful situation appraisal. CONCLUSION: In conclusion, the current neurobiological evidence suggests that HRV is impacted by stress and supports its use for the objective assessment of psychological health and stress.
Autonomic Nervous System
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Heart Rate*
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Heart*
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Homeostasis
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Humans
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National Library of Medicine (U.S.)
;
Neuroimaging
;
Stress, Psychological
;
Sympathetic Nervous System
6.Current Update on Transcranial Direct Current Stimulation as Treatment for Major Depressive Disorder.
Journal of the Korean Society of Biological Psychiatry 2018;25(4):89-100
Transcranial direct current stimulation (tDCS) is a non-invasive brain stimulation method that delivers 1–2 mA of current to the scalp. Several clinical studies have been conducted to confirm the therapeutic effect of major depressive disorder (MDD) patients with tDCS. Some studies have shown tDCS's antidepressant effect, while the others showed conflicting results in antidepressant effects. Our aim of this review is to understand the biological bases of tDCS's antidepressant effect and review the results of studies on tDCS's antidepressant effect. For the review and search process of MDD treatment using tDCS, the US National Library of Medicine search engine PubMed was used. In this review, we discuss the biological mechanism of tDCS's antidepressant effect and the existing published literature including meta-analysis, systematic review, control trial, open studies, and case reports of antidepressant effects and cognitive function improvement in patients with MDD are reviewed. We also discuss the appropriate tDCS protocol for MDD patients, factors predictive of response to tDCS treatment, the disadvantages of tDCS in MDD treatment, and side effects.
Brain
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Cognition
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Depressive Disorder, Major*
;
Humans
;
Methods
;
National Library of Medicine (U.S.)
;
Scalp
;
Search Engine
;
Transcranial Direct Current Stimulation*
7.Calcemic response to burns differs between adults and children: A review of the literature.
Gordon L KLEIN ; Debra A BENJAMIN ; David N HERNDON
Osteoporosis and Sarcopenia 2017;3(4):170-173
OBJECTIVES: The calcemic and parathyroid hormone (PTH) responses to severe burn injury appear to differ between children and adults. In our limited studies children exhibited hypocalcemic hypoparathyroidism consistent with up-regulation of the parathyroid calcium-sensing receptor (CaSR) while adults did not, suggesting a developmental cutoff in cytokine-mediated up-regulation of the CaSR. This difference may be clinically important as published studies indicate that extracellular calcium (Ca) may stimulate the inflammatory response. The aim of this study was to examine the existing literature on burns to see if the differences between pediatric and adult calcemic and PTH responses to burn supported our findings providing stronger evidence to support this developmental difference. METHODS: We reviewed the National Library of Medicine database using the terms burns, PTH and ionized calcium and found 9 articles from 8 different medical centers; one was eliminated due to mixing of adults and children. RESULTS: There were 245 burn patients reported from the literature, 178 pediatric and 67 adults. The data are mostly consistent with our reported findings. Of the 10 pediatric patients with severe burns that we studied, mean ionized Ca concentration was below the lower limit of normal of 1.10 mM. The 67 adult burn patients reported in the literature had a mean blood ionized Ca concentration that was within the adult normal range or was lower than normal but with secondary hyperparathyroidism. Moreover, serum PTH concentrations were uniformly low in the 178 children in the burn literature but normal or mildly elevated in the 67 adults. CONCLUSIONS: These results support the hypothesis that the difference between pediatric and adult victims is consistent with an age-related CaSR response to cytokine stimulation and may be consistent with a lower level of inflammation in children. Ionized Ca and PTH might serve as possible therapeutic targets to lower the inflammatory response in burn victims.
Adult*
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Burns*
;
Calcium
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Child*
;
Humans
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Hyperparathyroidism, Secondary
;
Hypoparathyroidism
;
Inflammation
;
National Library of Medicine (U.S.)
;
Parathyroid Hormone
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Receptors, Calcium-Sensing
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Reference Values
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Up-Regulation
8.In silico investigation of agonist activity of a structurally diverse set of drugs to hPXR using HM-BSM and HM-PNN.
Yi-Ming ZHANG ; Mei-Jia CHANG ; Xu-Shu YANG ; Xiao HAN
Journal of Huazhong University of Science and Technology (Medical Sciences) 2016;36(3):463-468
The human pregnane X receptor (hPXR) plays a critical role in the metabolism, transport and clearance of xenobiotics in the liver and intestine. The hPXR can be activated by a structurally diverse of drugs to initiate clinically relevant drug-drug interactions. In this article, in silico investigation was performed on a structurally diverse set of drugs to identify critical structural features greatly related to their agonist activity towards hPXR. Heuristic method (HM)-Best Subset Modeling (BSM) and HM-Polynomial Neural Networks (PNN) were utilized to develop the linear and non-linear quantitative structure-activity relationship models. The applicability domain (AD) of the models was assessed by Williams plot. Statistically reliable models with good predictive power and explain were achieved (for HM-BSM, r (2)=0.881, q LOO (2) =0.797, q EXT (2) =0.674; for HM-PNN, r (2)=0.882, q LOO (2) =0.856, q EXT (2) =0.655). The developed models indicated that molecular aromatic and electric property, molecular weight and complexity may govern agonist activity of a structurally diverse set of drugs to hPXR.
Computer Simulation
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Humans
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Models, Statistical
;
Molecular Weight
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Neural Networks (Computer)
;
Quantitative Structure-Activity Relationship
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Receptors, Steroid
;
agonists
;
chemistry
;
Small Molecule Libraries
;
chemistry
;
Static Electricity
9.Shear wave elastography: a systematic review and meta-analysis.
Journal of the Korean Medical Association 2016;59(7):529-535
Shear wave elastography is a novel noninvasive technique that involves application of local mechanical compression on soft tissue while using shear waves to assess tissue stiffness and acquiring strain images that show the tissue response. The objective of this review is to evaluate the safety and effectiveness of shear wave elastography. Searches were conducted of eight Korean databases including KoreaMed, National library of Korea, National Assembly Library, Korean Library Information System Network, Research Information Sharing Service, Koreanstudies Information Service System, Korea Institute of Science and Technology Information, Medical Digital Library Information System, Medline, Embase, and the Cochrane Library. From these sources, 1,604 articles were located, and total of 10 studies were included for this review. On the basis of current data, we conclude that shear wave elastography is a safe and effective tool for detecting lesions and monitoring disease severity in patients.
Elasticity Imaging Techniques*
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Humans
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Information Dissemination
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Information Services
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Information Systems
;
Korea
;
Libraries, Digital
10.Computer-aided design/computer-aided manufacturing of hydroxyapatite scaffolds for bone reconstruction in jawbone atrophy: a systematic review and case report.
Umberto GARAGIOLA ; Roberto GRIGOLATO ; Rossano SOLDO ; Marco BACCHINI ; Gianluca BASSI ; Rachele RONCUCCI ; Sandro DE NARDI
Maxillofacial Plastic and Reconstructive Surgery 2016;38(1):2-
BACKGROUND: We reviewed the biological and mechanical properties of porous hydroxyapatite (HA) compared to other synthetic materials. Computer-aided design/computer-aided manufacturing (CAD/CAM) was also evaluated to estimate its efficacy with clinical and radiological assessments. METHOD: A systematic search of the electronic literature database of the National Library of Medicine (PubMed-MEDLINE) was performed for articles published in English between January 1985 and September 2013. The inclusion criteria were (1) histological evaluation of the biocompatibility and osteoconductivity of porous HA in vivo and in vitro, (2) evaluation of the mechanical properties of HA in relation to its porosity, (3) comparison of the biological and mechanical properties between several biomaterials, and (4) clinical and radiological evaluation of the precision of CAD/CAM techniques. RESULTS: HA had excellent osteoconductivity and biocompatibility in vitro and in vivo compared to other biomaterials. HA grafts are suitable for milling and finishing, depending on the design. In computed tomography, porous HA is a more resorbable and more osteoconductive material than dense HA; however, its strength decreases exponentially with an increase in porosity. CONCLUSIONS: Mechanical tests showed that HA scaffolds with pore diameters ranging from 400 to 1200 mum had compressive moduli and strength within the range of the human craniofacial trabecular bone. In conclusion, using CAD/CAM techniques for preparing HA scaffolds may increase graft stability and reduce surgical operating time.
Atrophy*
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Biocompatible Materials
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Durapatite*
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Humans
;
In Vitro Techniques
;
Methods
;
National Library of Medicine (U.S.)
;
Porosity
;
Transplants

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