Fatemeh Abbaszadeh, Sajad Fakhri, Behrang Shiri Varnamkhasti, Seyed Zachariah Moradi, Mohammad Hosein Olfati, Zanyar Moradi, Mohammad Reza Khirehgesh, Haroon Khan
{"title":"Restoring Gut-brain Function by Medicinal Herbs Offering Neuroprotection through Suppressing Inflammatory Pathways: A Systematic Review.","authors":"Fatemeh Abbaszadeh, Sajad Fakhri, Behrang Shiri Varnamkhasti, Seyed Zachariah Moradi, Mohammad Hosein Olfati, Zanyar Moradi, Mohammad Reza Khirehgesh, Haroon Khan","doi":"10.2174/011570159X353541250128101649","DOIUrl":"https://doi.org/10.2174/011570159X353541250128101649","url":null,"abstract":"<p><strong>Introduction: </strong>Neurodegenerative diseases (NDDs) refer to a progressive degeneration of the nervous system and are on the rise. Researchers are trying to reveal the crucial mechanisms behind NDDs to find novel therapeutic candidates with higher efficacy and lower side effects. Increasing evidence highlights the auspicious role of inflammatory mechanisms in the pathogenesis of NDDs.</p><p><strong>Methods: </strong>Based on the Preferred Reporting Items for Systematic Reviews and Meta-Analysis (PRISMA) guideline, a systematic and comprehensive review was done to evaluate the effect of medicinal herbs in restoring gut-brain function and anti-inflammatory mechanisms in combating neuroprotection. The electronic databases, including Scopus, PubMed, and ScienceDirect, were searched for the literature review. The manual search of reference lists and citations was also employed falling within the authors' expertise.</p><p><strong>Results: </strong>As with other mechanisms, the bidirectional communication between the brain and gut, known as the gut-brain axis, has emerged as a potential target for therapeutic interventions. Since the gut-brain axis covers multiple mechanisms, especially inflammatory mechanisms in NDDs, it urges the need for finding novel multi-targeting agents. Medicinal herbs, with their rich repertoire of natural products, are multi-targeting candidates in combating several diseases. In this systematic and comprehensive review, we explore the potential of medicinal herbs in restoring gut-brain function and promoting neuroprotection by suppressing inflammatory pathways. Novel delivery systems and clinical applications of medicinal herbs are also highlighted to drawback the pharmacokinetic limitation in regulating the gut-brain axis-associated NDDs.</p><p><strong>Conclusion: </strong>Medicinal herbs provide neuroprotective responses through the modulation of gut-brain function and related inflammatory mediators.</p>","PeriodicalId":10905,"journal":{"name":"Current Neuropharmacology","volume":" ","pages":""},"PeriodicalIF":4.8,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144207939","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Alessandra Gaetano, Vance Gao, Gilles Van Camp, Hammou Bouwalerh, Milena Cannella, Tiziana Imbriglio, Sergio Scaccianoce, Stefania Maccari, Sara Morley-Fletcher
{"title":"Sex-Dependent Modulation of AMPA and GABAA Receptors in Response to Perinatal Stress: Implications for Cognitive and Emotion-related Behaviors.","authors":"Alessandra Gaetano, Vance Gao, Gilles Van Camp, Hammou Bouwalerh, Milena Cannella, Tiziana Imbriglio, Sergio Scaccianoce, Stefania Maccari, Sara Morley-Fletcher","doi":"10.2174/011570159X328731250104062122","DOIUrl":"10.2174/011570159X328731250104062122","url":null,"abstract":"<p><strong>Background: </strong>Early-life stress can severely impact brain health and neuronal plasticity, potentially leading to psychiatric disorders, with excitatory and inhibitory neurotransmission changes being key to understanding and mitigating these effects.</p><p><strong>Objective: </strong>We investigated the effects of Perinatal Stress (PRS) on the balance of excitatory and inhibitory neurotransmission, particularly focusing on AMPA and GABAA receptor protein levels and \u0000their relationship with cognition and risk-taking behavior in male and female Sprague-Dawley rats.</p><p><strong>Methods: </strong>Adult PRS (3-4 months old) offspring of dams exposed to 10 days of gestational restraint stress, which led to reduced maternal care, were evaluated at 3-4 months for behavioral responses to novelty, adverse environments, and recognition memory, with biochemical analyses conducted in the prefrontal cortex and the ventral and dorsal hippocampus.</p><p><strong>Results: </strong>PRS and sex notably affected behavior and AMPA/GABAA receptor subunit expression. PRS males showed reduced risk-taking behavior when exposed to novel and adverse environments and impaired recognition memory, while PRS females demonstrated better behavioral performance compared to both PRS males and control females. In the dorsal hippocampus, PRS increased the GluA2:GluA1 ratio and GABAA-α1 subunit in females but reduced them in males, modulating the AMPA/GABAA balance to enhance synaptic GABAergic inhibition and behavioral resilience in PRS females and control males.</p><p><strong>Conclusion: </strong>Our findings indicate that increased synaptic inhibition and reduced excitatory noise may underlie enhanced recognition memory and risk-taking behavior. The sex differences in PRS rats suggest that targeting AMPA or GABAA receptors could help treat early-life stress-related disorders and underscore the need for developing gender-specific therapies.</p>","PeriodicalId":10905,"journal":{"name":"Current Neuropharmacology","volume":" ","pages":""},"PeriodicalIF":4.8,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144207940","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Haroon Badshah, Rehman Zafar, Heeyoung Kang, Sangbae Ma, Haroon Khan, Myeong Ok Kim
{"title":"Quercetin Protects against Ethanol-induced Neurodegeneration in Adult Rat Cortex.","authors":"Haroon Badshah, Rehman Zafar, Heeyoung Kang, Sangbae Ma, Haroon Khan, Myeong Ok Kim","doi":"10.2174/011570159X349349250118152027","DOIUrl":"https://doi.org/10.2174/011570159X349349250118152027","url":null,"abstract":"<p><strong>Introduction: </strong>Quercetin, a naturally occurring flavonoid, has been reported to possess several pharmacological activities including neuroprotective properties. Chronic alcohol exposure is known to cause apoptotic neurodegeneration. In this study, docking studies were used to investigate the ligand-protein affinity against various neuroinflammatory targets like ChAt, TNF, IL-6, and IL-1β. Next, molecular studies were performed to determine quercetin activity against chronic ethanol- induced neurodegeneration in the adult rat cortex.</p><p><strong>Methods: </strong>Adult rats were treated with ethanol for 3 months while quercetin was treated for the last 20 days along with ethanol to the respective experimental groups. Elements of the mitochondrial apoptotic pathway i.e. pro-apoptotic protein Bax, cytochrome C release, and activation of caspase-9 and caspase-3 were determined after respective drug treatment. Our docking results revealed that quercetin possesses neuroprotective potential by targeting neuroinflammatory proteins inhibiting neurodegeneration.</p><p><strong>Results: </strong>Western blot results showed that ethanol administration increased the protein expressions of Bax, cytochrome C, caspase-9, and caspase-3. Furthermore, DNA damage was also observed by chronic ethanol treatment with increased expression of PARP-1. Quercetin treatment offered neuroprotection in the cortex against ethanol-induced neurodegeneration. Quercetin reversed the ethanolinduced apoptotic trend via down-regulating Bax, preventing cytochrome C release and inhibition of caspase cascade.</p><p><strong>Conclusion: </strong>Immunohistological findings i.e. caspase-3 immunoreactivity, Nissl staining, and Fluoro- Jade B staining also revealed significant neuronal survival with quercetin treatment against ethanol- induced neuronal cell death. Our in-silico and in-vivo findings suggest that quercetin has the potential capability to be used as a neuroprotective agent against alcoholic neurotoxicity.</p>","PeriodicalId":10905,"journal":{"name":"Current Neuropharmacology","volume":" ","pages":""},"PeriodicalIF":4.8,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144198420","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Early-Life Microbiome and Neurodevelopmental Disorders: A Systematic Review and Meta-Analysis.","authors":"Md Fakruddin, Tasbir Amin, Md Asaduzzaman Shishir, Rameesa Maliha Jameel, Mubashshir Muntaha Bari, Nashia Farzana Shameem, Amana Hossain, Nusrat Jerin, Shahnewaj Bin Mannan, Jinath Sultana Jime, Nayeema Bulbul","doi":"10.2174/011570159X360129250508113618","DOIUrl":"https://doi.org/10.2174/011570159X360129250508113618","url":null,"abstract":"<p><strong>Background and objectives: </strong>This systematic review intends to find out how neurodevelopmental disorders, including Attention Deficit Hyperactivity Disorder (ADHD) and Autism Spectrum Disorder (ASD), are influenced by the gut microbiota throughout early childhood. The study looks at the variety and types of microbes that a child is exposed to, the particular microbiome profiles associated with neurodevelopmental outcomes, and the molecular processes that underlie these relationships.</p><p><strong>Methods: </strong>We performed a thorough search of PubMed, Scopus, the WHO Global Health Library (GHL), and ISI Web of Science. After screening 2,744 original studies based on predetermined eligibility criteria, 19 studies were included. Microbial groupings, presence (high/low), and related neurodevelopmental disorders were among the primary areas of data extraction. The methodological quality of the studies was assessed using the Newcastle-Ottawa Quality Assessment Scale (NOS).</p><p><strong>Results: </strong>The investigated literature repeatedly showed a strong correlation between dysbiosis of the gut microbiota and neurodevelopmental disorders. Cases of ASD were associated with both a high number of Clostridium species and a low number of Bifidobacterium species. On the other hand, a Low number of E. coli and a high number of the class Clostridia, phylum Firmicute, genus Bifidobacterium, and Akkermansia, as well as the species Listeria monocytogenes, Toxoplasma gondii, Streptococcus mutans, and Mycobacterium tuberculosis have been linked to ADHD. The NOS evaluation showed variation in the quality of the methodology; some studies had high scores, suggesting sound technique, while other studies had lower scores, indicating serious methodological flaws.</p><p><strong>Conclusion: </strong>The results highlight the potential impact of the gut microbiome throughout early life on neurodevelopmental outcomes, indicating that microbial imbalances may play a role in the onset of disorders like ASD and ADHD. However, to improve the quality of data, larger-scale longitudinal studies would be required.</p>","PeriodicalId":10905,"journal":{"name":"Current Neuropharmacology","volume":" ","pages":""},"PeriodicalIF":4.8,"publicationDate":"2025-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144181059","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Umar Muzaffer, Bisma Gull, Zabeer Ahmed, Muzamil Ahmad
{"title":"Neuropharmacological Interventions of Plant Origin for Parkinson's Disease: A Comprehensive Appraisal.","authors":"Umar Muzaffer, Bisma Gull, Zabeer Ahmed, Muzamil Ahmad","doi":"10.2174/1570159X23666250523112027","DOIUrl":"https://doi.org/10.2174/1570159X23666250523112027","url":null,"abstract":"<p><p>Parkinson's disease (PD) presents a complex challenge in neurodegenerative disorders, necessitating innovative therapeutic approaches. This review article elucidates the therapeutic potential of traditional herbal formulations alongside computational methods in PD research. Through comprehensive examination, we explore their mechanisms of action, synergistic effects, and implications for PD management. Furthermore, we discuss the significance of computational techniques such as molecular docking, molecular dynamics simulations, pharmacophore modeling, and network pharmacology. Our analysis underscores the integration of traditional wisdom with modern scientific inquiry, paving the way for nuanced interventions in PD.</p>","PeriodicalId":10905,"journal":{"name":"Current Neuropharmacology","volume":" ","pages":""},"PeriodicalIF":4.8,"publicationDate":"2025-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144181006","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Siyu Ding, Linliu Peng, Zhao Chen, Mengyuan Dong, Cuiling Tang, Yiqing Gong, Lang He, Qi Wu, Rong Qiu, Hong Jiang
{"title":"The Status and Future Directions of Treatments for Polyglutamine Spinocerebellar Ataxia: A Bibliometric and Visual Analysis.","authors":"Siyu Ding, Linliu Peng, Zhao Chen, Mengyuan Dong, Cuiling Tang, Yiqing Gong, Lang He, Qi Wu, Rong Qiu, Hong Jiang","doi":"10.2174/011570159X360111250502055242","DOIUrl":"https://doi.org/10.2174/011570159X360111250502055242","url":null,"abstract":"<p><strong>Background: </strong>Polyglutamine (polyQ) spinocerebellar ataxias (SCA) are a group of autosomal dominant neurodegenerative disorders for which no effective treatments currently exist. These conditions impose a significant burden on patients, their families, and society. Consequently, the treatment of these disorders has attracted significant global interest.</p><p><strong>Objective: </strong>We conducted this bibliometric analysis to identify the key research hotspots and predict the future research directions of this field.</p><p><strong>Methods: </strong>Studies relating to the treatment of polyQ SCA published from 1999 to 2024 were retrieved from the Web of Science Core Collection database. Relevant papers were selected using predefined inclusion and exclusion criteria. HistCite, VOSviewer, CiteSpace, and alluvial generator were used in the bibliometric analysis.</p><p><strong>Results: </strong>Overall, 935 papers were included. The number of publications in this field showed a trend toward a fluctuating increase. The United States and the University of Coimbra were the leading countries and institutions, respectively, in terms of publication number. The two most productive and highly cited authors were Luis Pereira de Almeida and Patricia Maciel. The journals Cerebellum, Human Molecular Genetics, and Movement Disorders were considered the most influential based on the number of publications and citations. Furthermore, \"new SCA types\", \"Huntington's disease\", \"clinical trial\", \"gene therapy\", \"disease models,\" and \"Aggregation clearance therapy\" emerged as current hotspots in this field, as revealed by the reference and keyword analyses.</p><p><strong>Conclusion: </strong>This study presents a systematic bibliometric analysis of research on the polyQ SCA treatment, which we hope will assist researchers in identifying the key topics and future research directions in this field.</p>","PeriodicalId":10905,"journal":{"name":"Current Neuropharmacology","volume":" ","pages":""},"PeriodicalIF":4.8,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144110020","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Windows to Consciousness: The Role of Fronto-Parietal Connectivity in Anesthesia-Induced Unconsciousness.","authors":"Yuanyuan Ding, Shiya Liu, Kaixin Wang, Junya Kang, Wenqi Chen, Shujun Sun, Yuxin Hu, Yunyun Han, Xiangdong Chen","doi":"10.2174/011570159X375644250405041050","DOIUrl":"https://doi.org/10.2174/011570159X375644250405041050","url":null,"abstract":"<p><p>The exploration of consciousness and the elucidation of the mechanisms underlying general anesthesia are two intertwined endeavors that have significantly advanced our understanding of the neural correlates of awareness. Both fields converge on the neural systems that regulate consciousness. Frontoparietal networks, known for their involvement in executive functions, attention, and cognitive control, emerge as key players in the transition from wakefulness to anesthesiainduced unconsciousness. This review synthesizes recent findings highlighting the pivotal role of fronto-parietal connectivity in the induction and maintenance of unconsciousness by general anesthetics. By examining functional neuroimaging studies and neurophysiological data, we elucidate how disruptions in fronto-parietal interactions contribute to the loss of responsiveness and altered states of awareness associated with anesthesia. Additionally, we further explain the underlying mechanism at both the neuronal and molecular levels. Furthermore, we discuss the implications of these findings for advancing our understanding of the neural correlates of consciousness and the development of novel anesthetic agents with more predictable and targeted effects on consciousness. This review decisively bridges the gap between consciousness research and anesthetic pharmacology, providing a robust framework for future investigations into the neural mechanisms that control transitions between conscious states.</p>","PeriodicalId":10905,"journal":{"name":"Current Neuropharmacology","volume":" ","pages":""},"PeriodicalIF":4.8,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144076458","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Celastrol Ameliorates Vincristine-induced Neuropathic Pain by Inhibiting Spinal Astrocyte Hyperactivation-mediated Inflammation, Oxidative Stress, and Apoptosis.","authors":"Gui-Zhou Li, Jing Xu, Yun-Man Li, Ya-Hui Hu","doi":"10.2174/011570159X385690250509050208","DOIUrl":"https://doi.org/10.2174/011570159X385690250509050208","url":null,"abstract":"<p><strong>Background: </strong>Neurotoxicity is the severe adverse reaction induced by chemotherapy drugs, characterized by neuropathic pain. However, there is a notable lack of therapeutic drugs for chemotherapy-induced neuropathic pain (CINP). Celastrol, a naturally occurring terpenoid active compound extracted from the roots of Tripterygium wilfordii Hook f., exhibits a neuroprotective effect, yet its therapeutic potential in CINP has not been reported.</p><p><strong>Objective: </strong>In this study, with vincristine-induced neuropathic pain (VINP) as a model, we aimed to investigate the therapeutic effect of celastrol on VINP and its specific mechanisms.</p><p><strong>Methods: </strong>Vincristine (VCR, 0.1 mg/kg, intraperitoneal injection) was used to induce a neuropathic pain model. Celastrol (0.5, 1.0, and 2.0 mg/kg, intraperitoneal injection) was administered to assess its therapeutic effects on vincristine-induced neuropathic pain (VINP). Transmission electron microscopy (TEM) was employed to examine damage to the sciatic nerve fibers and mitochondria. Flow cytometry was used to detect mitochondrial membrane potential (MMP), reactive oxygen species (ROS), and cell apoptosis. Primary astrocyte cultures were utilized further to validate the therapeutic mechanisms of celastrol in VINP.</p><p><strong>Results: </strong>Here, we demonstrate that celastrol inhibits vincristine (VCR)-induced activation of spinal astrocytes by suppressing CaMKII phosphorylation. Additionally, celastrol alleviates the Cx43- dependent inflammation caused by VCR through the inhibition of the CaMKII/NF-κB signaling pathway. Concurrently, celastrol modulates the production of reactive oxygen species (ROS) and the expression of apoptosis-related proteins (Cleaved Caspase-3, Bax, and Bcl-2) by suppressing the phosphorylation of CaMKII in astrocytes, thereby ameliorating the mitochondrial damage and cell apoptosis caused by VCR.</p><p><strong>Conclusion: </strong>Our findings reveal that celastrol exerts therapeutic effects on VINP through its antiinflammatory, antioxidant, and anti-apoptotic properties. Furthermore, we preliminarily explore the molecular mechanisms underlying these effects, thereby providing a scientific basis for celastrol as a potential therapeutic agent for CINP.</p>","PeriodicalId":10905,"journal":{"name":"Current Neuropharmacology","volume":" ","pages":""},"PeriodicalIF":4.8,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144076450","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Translational Informatics for Neuropharmacology: Databases, Ontologies, and Analytics.","authors":"Bairong Shen, Nigel H Greig, Mohammad Amjad Kamal","doi":"10.2174/011570159X411123250509100901","DOIUrl":"https://doi.org/10.2174/011570159X411123250509100901","url":null,"abstract":"","PeriodicalId":10905,"journal":{"name":"Current Neuropharmacology","volume":" ","pages":""},"PeriodicalIF":4.8,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144076456","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"The Evolution of Machine Learning in Medicinal Chemistry: A Comprehensive Bibliometric Analysis.","authors":"Yanhua Wang, Tongxin Guan, Dongyu Xu, Mingyan Liu, Zhichang Zhang","doi":"10.2174/011570159X384988250430093924","DOIUrl":"https://doi.org/10.2174/011570159X384988250430093924","url":null,"abstract":"<p><strong>Introduction: </strong>In the medicinal chemistry (MC) field, artificial intelligence (AI) has been used to establish quantitative structure-activity relationship (QSAR) classification models, virtual screening, drug discovery, drug design, and so on. In this investigation, MC AI studies (AI-MC) (from 2001-2023) underwent quantitative and qualitative modeling analyses.</p><p><strong>Methods: </strong>Using a hybrid research strategy incorporating content analyses and bibliometric methods, we retrospectively analysed the AI-MC literature using a bibliometrix package (R software) combined with CiteSpace V and VOSviewer programs.</p><p><strong>Results: </strong>Between 2001 and 2023, AI-MC articles were published in 92 countries or regions, with China and the United States leading in the number of publications. Also, 196 affiliations were added to AI-MC research; the CHINESE ACADEMY OF SCIENCES contributed the most. Reference clusters were categorized as follows: (1) QSAR, (2) virtual screening, (3) drug discovery, (4) drug design. Predictive model(2020-2021), molecular fingerprints (2021-2023) and scoring function (2021-2023) reflected research frontier keywords. As we look to the future, the ongoing progress and innovation in technology herald the promising development of multimodal and large language models (LLMs) within the realm of MC.</p><p><strong>Conclusions: </strong>We comprehensively characterized the AI-MC field and determined future trends and hotspots. Importantly, we provided a dynamic oversight of the AI-MC literature and identified key upcoming research areas.</p>","PeriodicalId":10905,"journal":{"name":"Current Neuropharmacology","volume":" ","pages":""},"PeriodicalIF":4.8,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144076453","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}