Current topics in medicinal chemistry最新文献

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MHA-SVR: An Adaptive Soft Sensor Based on Feature Interaction for Ultrasonic Phytomedicine Extraction. 基于特征交互的MHA-SVR自适应软传感器超声植物药提取。
IF 2.9 4区 医学
Current topics in medicinal chemistry Pub Date : 2025-05-20 DOI: 10.2174/0115680266356325250510064641
Yuqi Yue, Zepeng Xue, Zhongyu Guo, Juan Chen
{"title":"MHA-SVR: An Adaptive Soft Sensor Based on Feature Interaction for Ultrasonic Phytomedicine Extraction.","authors":"Yuqi Yue, Zepeng Xue, Zhongyu Guo, Juan Chen","doi":"10.2174/0115680266356325250510064641","DOIUrl":"https://doi.org/10.2174/0115680266356325250510064641","url":null,"abstract":"<p><strong>Introduction: </strong>Ultrasonic extraction is a crucial technique for isolating active compounds from phytomedicine. However, as a batch process characterized by non-linearity and small sample size, it poses substantial challenges for real-time and prediction of extraction rates during the extraction of phytomedicinal. This work proposes an adaptive soft sensor for ultrasonic phytomedicine extraction.</p><p><strong>Method: </strong>An adaptive soft sensor based on an attention mechanism was first proposed. The attention mechanism calculates correlations between samples and assigns weights based on their similarity to the current query. Support vector regression (SVR) is then used to construct the soft sensor for extraction rate measurement. To further enhance sample information analysis, multi-head attention is employed. This allows the model to calculate the similarity between current queries and historical data across different feature spaces, thus improving the modeling capabilities of the intrinsic data structure. Finally, a dual-frequency ultrasonic extraction experiment of puerarin is designed and conducted. The experimental data is collected and labeled from different batches under varying initial extraction temperatures. This data is used to establish the soft sensor model and compare its performance.</p><p><strong>Results and discussion: </strong>The experimental results indicate that the proposed MHA-SVR model improved the coefficient of determination (R²) by 5.12% compared to the mainstream model and reduced the online prediction time by 88% compared to the JITL-SVR model. This work performance well exceeds the others while maintaining good real-time capabilities for the dual-frequency ultrasonic extraction of puerarin.</p><p><strong>Conclusion: </strong>The multi-head attention and SVR-integrated soft sensor method proposed in this study effectively addresses the soft measurement challenges in online monitoring of multi-batch ultrasonic extraction processes. This approach demonstrates significant enhancement in extraction yield detection accuracy across varying batches and diverse initial operating conditions, thereby providing a robust technical solution for real-time quantification of extraction efficiency in botanical material processing.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144110058","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Targeting Cell Signalling Pathways with New Small Molecules in Inflammation and Cancer. 在炎症和癌症中靶向细胞信号通路的新小分子。
IF 2.9 4区 医学
Current topics in medicinal chemistry Pub Date : 2025-05-12 DOI: 10.2174/0115680266360926250509040743
Ritam Mondal, Kalpana Rahate, Sandhya Chaudhary
{"title":"Targeting Cell Signalling Pathways with New Small Molecules in Inflammation and Cancer.","authors":"Ritam Mondal, Kalpana Rahate, Sandhya Chaudhary","doi":"10.2174/0115680266360926250509040743","DOIUrl":"https://doi.org/10.2174/0115680266360926250509040743","url":null,"abstract":"<p><p>In the treatment of cancer and inflammation, small molecules become powerful therapeutic tools that provide new therapeutic approaches with improved efficacy and fewer side effects. This review offers a thorough summary of current developments in small-molecule drugs that target cancer and inflammatory pathways. Specifically, inhibition of phosphodiesterase-4 (PDE4) and COX receptors have demonstrated potential in the field of inflammation to help mitigate a variety of inflammatory disorders. We examine the structural design, mechanism of action, and therapeutic potential of innovative small compounds that inhibit or alter these pathways. Significant attention is placed on the dual anti-inflammatory and anti-cancer properties of these substances. The evaluation emphasizes preclinical and clinical data, revealing the most promising candidates under development. In summary, the precise manipulation of cellular signalling pathways by small compounds constitutes a dynamic domain with the capacity to revolutionize therapeutic approaches for inflammation and cancer. Ongoing investigation of these chemicals is essential for the advancement of safer and more efficacious therapies.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143983241","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Traditional Chinese Medicines for Alzheimer's Disease: Current Knowledge, Clinical Applications, and Future Directions. 中药治疗阿尔茨海默病:目前的知识、临床应用和未来方向。
IF 2.9 4区 医学
Current topics in medicinal chemistry Pub Date : 2025-05-12 DOI: 10.2174/0115680266347052250407110353
Yu Deng, Chaojun Chen, Hongtao Li, Tianle Wang, Xu Zhang, Xueyang Wang, Guangtao Pan
{"title":"Traditional Chinese Medicines for Alzheimer's Disease: Current Knowledge, Clinical Applications, and Future Directions.","authors":"Yu Deng, Chaojun Chen, Hongtao Li, Tianle Wang, Xu Zhang, Xueyang Wang, Guangtao Pan","doi":"10.2174/0115680266347052250407110353","DOIUrl":"https://doi.org/10.2174/0115680266347052250407110353","url":null,"abstract":"<p><p>Alzheimer's disease (AD) is a prevalent neurodegenerative disorder that poses a significant challenge to the health of the global aging population. Despite extensive research, the complex mechanisms underlying AD pathogenesis remain largely elusive. In recent years, a growing number of clinical studies have demonstrated the preventive and therapeutic potential of Traditional Chinese Medicine (TCM) against AD through multiple pathways, targets, and compounds. In this study, we conducted a review of the literature published over the past 20 years through international and domestic databases, including PubMed, Medline, Cochrane Library, CNKI, SinoMed, Wanfang, and VIP Journal Integration Platform. This review systematically evaluates current research advancements regarding single-herb preparations, bioactive constituents, and compound formulations in Traditional Chinese Medicine (TCM), with focused analysis on three therapeutic categories: tonifying herbs, blood-activating and stasis-eliminating agents, as well as orifice-opening, phlegm-resolving, and mind-stabilizing medicinal substances. Furthermore, this review discusses the potential mechanisms underpinning the anti-AD effects of TCMs. By integrating these insights, this review aims to establish a theoretical foundation for the application of TCMs in AD treatment and provide a reference for future pharmacological studies and the development of health-related products.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143985087","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Discovery of MMP1 Inhibitors from Dandelion using Molecular Simulation and Bioactivity Test. 蒲公英中MMP1抑制剂的分子模拟和生物活性试验
IF 2.9 4区 医学
Current topics in medicinal chemistry Pub Date : 2025-05-12 DOI: 10.2174/0115680266387669250509094221
Yaxuan Huang, Dewen Jiang, Liqin Zhang, Yonghao Zhang, Mingkai Wu, Xiaojie Jin, Jianjun Luo, Dabo Pan
{"title":"Discovery of MMP1 Inhibitors from Dandelion using Molecular Simulation and Bioactivity Test.","authors":"Yaxuan Huang, Dewen Jiang, Liqin Zhang, Yonghao Zhang, Mingkai Wu, Xiaojie Jin, Jianjun Luo, Dabo Pan","doi":"10.2174/0115680266387669250509094221","DOIUrl":"https://doi.org/10.2174/0115680266387669250509094221","url":null,"abstract":"<p><strong>Background: </strong>MMP1 (matrix metallopeptidase 1) plays a significant role in the degradation of collagen fibres within the extracellular matrix, and has been linked to a multitude of biological processes, including rheumatoid arthritis, osteoarthritis, periodontal disease, and tumor invasion.</p><p><strong>Objective: </strong>In order to discover inhibitors of MMP1 that originate from the phytochemicals of the dandelion (Taraxacum mongolicum Hand.-Mazz.).</p><p><strong>Methods: </strong>The herbal constituents of the dandelion were retrieved from the HERB database. A multifaceted approach including molecular docking, MMP1 enzyme assays, and molecular dynamics simulations was used to identify potential MMP1 inhibitors among the chemical compounds present in the dandelion.</p><p><strong>Results: </strong>A total of 61 chemical constituents of the dandelion were collated from the HERB database. A potential MMP1 inhibitor was identified through a combination of molecular docking and an MMP1 enzyme bioactivity assay. Cichoric acid demonstrated pronounced inhibitory activity against MMP1, with an IC50 value of 7.81 ± 2.60 µM. Molecular dynamics simulations and binding free energy calculations indicated that the nonpolar interaction energies of LEU181, ARG214, VAL215, HIS218, GLU219, HIS228, PRO238, and SER239 played a primary role in the binding of cichoric acid to MMP1.</p><p><strong>Conclusion: </strong>The integration of molecular modeling and bioactivity testing proved an effective method for the rapid discovery of targeted small molecule inhibitors. Cichoric acid demonstrated potent MMP1 inhibitory activity and thus represented a promising candidate for further development.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143978985","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Integrative Analysis Reveals Genes Causal Relation with Ovarian Cancer and aging. 综合分析揭示卵巢癌与衰老的基因因果关系。
IF 2.9 4区 医学
Current topics in medicinal chemistry Pub Date : 2025-05-09 DOI: 10.2174/0115680266358687250507041056
Lanhui Qin, Chongze Yang, Rui Song, Pei-Yin Chen, Zijian Jiang, Weihui Xu, Guanzhen Zeng, Jin-Yuan Liao, Liling Long
{"title":"Integrative Analysis Reveals Genes Causal Relation with Ovarian Cancer and aging.","authors":"Lanhui Qin, Chongze Yang, Rui Song, Pei-Yin Chen, Zijian Jiang, Weihui Xu, Guanzhen Zeng, Jin-Yuan Liao, Liling Long","doi":"10.2174/0115680266358687250507041056","DOIUrl":"https://doi.org/10.2174/0115680266358687250507041056","url":null,"abstract":"<p><strong>Background: </strong>Exploring the correlation between ovarian cancer and aging has great significance for understanding the pathogenesis of ovarian cancer and formulating targeted therapeutic regimens.</p><p><strong>Objective: </strong>This computational study aims to identify and validate key genes in monocyte subtypes related to ovarian cancer and aging, exploring potential causal relationships.</p><p><strong>Method: </strong>We collected single-cell RNA sequencing data (GSE157007, GSE184880), GWAS data (14,049 samples and 40,941 controls from a European population), and eQTL data of ovarian cancer and aging. Using R software packages like Seurat and singleR, we conducted data integration, quality control, cell classification, and differential gene expression analysis to identify intersecting monocyte subtype genes in ovarian cancer and aging. We employed summary data-based Mendelian randomization (SMR) analysis and Heterogeneity in Dependent Instruments (HEIDI) tests to pinpoint causal genes. Further single-cell functional analyses (gene switching, cell communication, metabolic pathway analysis), Bulk RNA sequencing validation, functional enrichment, and protein- protein interaction (PPI) analyses elucidated these genes' biological roles.</p><p><strong>Results: </strong>The dataset included 123,280 cells, revealing differential gene expression in classical monocytes (104 genes), intermediate monocytes (43 genes), and myeloid dendritic cells (39 genes). SMR and HEIDI identified causal relationships for 7 genes in classical monocytes, 3 in intermediate monocytes, and 3 in myeloid dendritic cells with ovarian cancer. Bulk RNA seq validation confirmed six monocyte genes as causal in ovarian cancer and aging. TREM1, SERPINB2, and CD44 were upregulated, while DST was downregulated; SLC11A1 and PNRC1 showed contradictory patterns. Interactions with NK and T cells involved LGALS9 - CD44/45 receptors. Riboflavin metabolism was a common enriched pathway.</p><p><strong>Conclusion: </strong>This study identified six specific monocyte genes as potential therapeutic targets for ovarian cancer and aging.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143989835","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Exploring the Medicinal and Nutraceutical Frontiers of Tinospora Cordifolia in Stress and Cancer Management. 探索桔梗在应激和癌症治疗中的药用和营养前沿。
IF 2.9 4区 医学
Current topics in medicinal chemistry Pub Date : 2025-05-08 DOI: 10.2174/0115680266347636250505063601
Akansha Jaiswal, Kulbhushan Thakur, Atika Chandra, Tejveer Singh, Bilal Ahmad Mir, Shailendra Goel, Rajesh Tandon, Vijay Rani Rajpal
{"title":"Exploring the Medicinal and Nutraceutical Frontiers of Tinospora Cordifolia in Stress and Cancer Management.","authors":"Akansha Jaiswal, Kulbhushan Thakur, Atika Chandra, Tejveer Singh, Bilal Ahmad Mir, Shailendra Goel, Rajesh Tandon, Vijay Rani Rajpal","doi":"10.2174/0115680266347636250505063601","DOIUrl":"https://doi.org/10.2174/0115680266347636250505063601","url":null,"abstract":"<p><p>Tinospora cordifolia, commonly known as Guduchi, Giloy, or Amrita, has been a cornerstone of traditional medicine for centuries and is renowned for its diverse nutraceutical and medicinal potential. The plant exhibits immunomodulatory, antioxidant, anti-inflammatory, and anti-viral activities due to its rich array of bioactive compounds, including alkaloids, diterpenoid lactones, polysaccharides, and others. These properties make Giloy a promising candidate for a variety of therapeutic applications. Further, as oxidative damage contributes to chronic diseases by affecting essential biomolecules, the antioxidant phytochemicals found in T. cordifolia counter the free radicals and offer significant health benefits. This comprehensive review delves into the health benefits and therapeutic efficacy of Giloy, with a particular focus on its mechanisms for mitigating stress and combating cancer. The preclinical and clinical studies have demonstrated Giloy's ability to enhance antioxidant defences and induce apoptosis in cancerous cells. Additionally, it has shown potential in adjunct therapy to improve the quality of life for cancer patients by reducing the side effects associated with conventional cancer therapies. By exploring the multifaceted potential of T. cordifolia in modern medicine, this review aims to bridge the gap between traditional knowledge and contemporary scientific insights by addressing the underutilization of ancient herbal remedies in evidence-based healthcare. It also discusses future research directions and probable applications of Giloy in clinical practice, highlighting the importance of this ancient remedy in the context of modern healthcare practices, especially in cancer and stress management.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143987212","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Discovery of Diphenylsilane Compounds as Potential Inhibitors of Zn-Metalloproteinase Thermolysin Using Artificial Neural Networks. 应用人工神经网络发现锌金属蛋白酶热溶酶潜在抑制剂二苯基硅烷化合物。
IF 2.9 4区 医学
Current topics in medicinal chemistry Pub Date : 2025-05-07 DOI: 10.2174/0115680266369656250428053942
Yudith Cañizares-Carmenate, Facundo Perez Gimenez, Roberto Diaz-Amador, Francisco Torrens, Juan A Castillo-Garit
{"title":"Discovery of Diphenylsilane Compounds as Potential Inhibitors of Zn-Metalloproteinase Thermolysin Using Artificial Neural Networks.","authors":"Yudith Cañizares-Carmenate, Facundo Perez Gimenez, Roberto Diaz-Amador, Francisco Torrens, Juan A Castillo-Garit","doi":"10.2174/0115680266369656250428053942","DOIUrl":"https://doi.org/10.2174/0115680266369656250428053942","url":null,"abstract":"<p><strong>Introduction/objective: </strong>Artificial neural networks are very powerful machine learning and artificial intelligence tools for computer-aided drug discovery. This method offers advantages over traditional approaches related to saving time and money. The aim of this work is to develop machine-learning artificial neural networks for computer-aided discovery of potential thermolysin metalloprotease inhibitor drug candidates.</p><p><strong>Methods: </strong>In this work, MLP (Multilayer Perceptron) and RBF (Radial Basis Function) neural networks with a general 5:n:1 architecture are developed to find a non-linear correlation between five molecular descriptors obtained by genetic algorithm, and the inhibition of the enzyme thermolysin, expressed as pKi. The AD (applicability domain) of the model was determined using the AMBIT Discovery software, and the in silico activity profile of a series of diphenylsilanes obtained by chemical synthesis was evaluated.</p><p><strong>Results: </strong>The proposed models show a better fit than the linear model in both series (R2 MLR = 0.71 for the training set and R2 MLR = 0.72 for the prediction set). In the case of the MLP, R2 values close to 0.90 are found and all the compounds are inside the AD of the model. Although the RBF-type models show instability in training, networks with a performance greater than 0.80 are found. However, only the MLP-type models are taken into account to predict the activity of a series of 17 diphenylsilanes. Finally, three compounds are identified as the most promising thermolysin inhibitors.</p><p><strong>Conclusion: </strong>This methodology offers advantages over traditional methods related to saving time and money. Furthermore, the results obtained suggest that the three identified compounds could be used for the treatment of cardiovascular pathologies because of their homology with human vasopeptidases.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143957234","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Transforming Breast Cancer Therapy: The Pivotal Role of Nanoparticles. 改变乳腺癌治疗:纳米颗粒的关键作用。
IF 2.9 4区 医学
Current topics in medicinal chemistry Pub Date : 2025-05-06 DOI: 10.2174/0115680266354524250424162638
Lalit Kumar, Ritesh Rana, Isha Singh, Neelam Sharma, Vikas Aggarwal, Nisha Gupta, Vuluchala Jyothiraditya
{"title":"Transforming Breast Cancer Therapy: The Pivotal Role of Nanoparticles.","authors":"Lalit Kumar, Ritesh Rana, Isha Singh, Neelam Sharma, Vikas Aggarwal, Nisha Gupta, Vuluchala Jyothiraditya","doi":"10.2174/0115680266354524250424162638","DOIUrl":"https://doi.org/10.2174/0115680266354524250424162638","url":null,"abstract":"<p><strong>Introduction: </strong>Globally, breast cancer (BC) affects a greater number of women than any other kind of cancer, and it is the second leading cause of death after lung cancer. The current standard of care for cancer treatment is the surgical excision of the malignant tumor followed by adjuvant therapy with chemotherapy or radiation. Regrettably, the side effects of radiation and chemotherapy frequently cause harm to healthy tissues and organs, hence limiting the effectiveness of these treatments in addressing BC. Recently, various nanoparticles (NPs) have been discovered and manufactured with the capacity to selectively target cancerous cells while minimizing harm to normal cells or organs. As a result, the utilization of NPs-mediated targeted drug delivery systems (DDS) has emerged as a promising method for treating BC.</p><p><strong>Objective: </strong>The primary aim of this review was to provide a concise overview of the function of different nanoparticles in the specific delivery of anticancer medications to eradicate breast cancer.</p><p><strong>Methods: </strong>The present review paper performed a literature inspection using several search engines such as PubMed, Google Scholar, and Science Direct.</p><p><strong>Results: </strong>In addition to their ability to selectively target tumor cells and minimize side effects, nanoparticles (NPs) possess other distinctive characteristics that make them highly desirable for cancer treatment. These include low toxicity, excellent compatibility, ease of preparation, high photoluminescence for in vivo bioimaging, and the capacity to efficiently load drugs due to their adjustable surface functionalities.</p><p><strong>Conclusion: </strong>This study provides a comprehensive examination of recent therapeutic studies that utilize various nanoparticle-mediated drug delivery systems as alternatives to established therapy techniques for breast cancer. This study will elucidate the importance of nanoparticle-mediated drug delivery systems (DDS) and provide a roadmap for identifying the optimal approach for future targeted drug delivery, specifically for the treatment of breast cancer.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143984944","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Optimization, Preparation, and Cytotoxic Potential of Pyrus communis Extract Loaded Ethosomes on Skin Cancer Cell Lines. 山梨提取物的优化、制备及对皮肤癌细胞系的细胞毒性研究。
IF 2.9 4区 医学
Current topics in medicinal chemistry Pub Date : 2025-05-02 DOI: 10.2174/0115680266349097250418135927
Kiran Kangra, Vandana Garg, Anju Dhiman, Rohit Dutt
{"title":"Optimization, Preparation, and Cytotoxic Potential of Pyrus communis Extract Loaded Ethosomes on Skin Cancer Cell Lines.","authors":"Kiran Kangra, Vandana Garg, Anju Dhiman, Rohit Dutt","doi":"10.2174/0115680266349097250418135927","DOIUrl":"https://doi.org/10.2174/0115680266349097250418135927","url":null,"abstract":"<p><strong>Background: </strong>Skin cancer is one of the most prevalent cancers globally and is considered a serious public health problem associated with high death rates. The current therapeutic regimes for skin cancer are limited by their low bioavailability, generation of resistance, or adverse side effects. Many fruit extract-based nutraceuticals hold potential as topical treatment methods. Pyrus communis (Pear) fruit extract is a rich source of cholinergic acid, presently used as therapy for various skin diseases. Thus, it qualifies as a promising candidate for skin cancer treatment.</p><p><strong>Objective: </strong>The objective of the study is to evaluate the cytotoxicity of Pyrus communis extract entrapped in ethosomes.</p><p><strong>Methods: </strong>In this study, Pyrus communis fruit extract was formulated in ethosomes using the hot method and optimized using central composite design. The optimized ethosomes were characterized in vitro for particle size distribution, zeta potential, entrapment efficiency, morphology, and particle stability.</p><p><strong>Results: </strong>Preliminary phytochemical screening results suggest that PCHE contains a significant amount of phenolic compounds compared to other extracts (PCEA and PCAE). The presence of these phenolic compounds contributes to the strong antioxidant and cytotoxic effects of PCHE, which are observed in a dose-dependent manner. Analysis through GC-MS has identified chlorogenic acid, arbutin, ursolic acid, quercetin, and epicatechin are present in PCHE. Based on the initial testing of the extracts, PCHE was chosen for the preparation of ethosomes. The optimized ethosomes were found to have a particle size of 699 nm and a zeta potential of -16.07. Transmission Electron Microscopy illustrated a closed, spherically symmetrical structure of the ethosomes. Additionally, the Franz diffusion cell analysis for percutaneous absorption using egg membrane indicated a steady-state flux of the drug from the ethosomes. The formulation's cytotoxicity potential was assessed using the epidermoid carcinoma cell line (A431) through the MTT assay. The results show that the ethosome formulations exhibit cytotoxic activity better than PCHE extract. 1 Conclusion: In sum, the result of this study clearly points out that Pyrus communis extract entrapped in ethosomes, prepared by hot method, displayed a cytotoxic potential against skin cancer cell lines. This ethosomal formulation can be harnessed for skin cancer therapy through further mechanistic analysis and animal studies.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143969323","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Current Trends in Drug Discovery Based on Artificial Intelligence and Computer-aided Drug Design: Part I. 基于人工智能和计算机辅助药物设计的药物发现的当前趋势:第一部分。
IF 2.9 4区 医学
Current topics in medicinal chemistry Pub Date : 2025-05-02 DOI: 10.2174/0115680266409158250430065509
Igor José Dos Santos Nascimento
{"title":"Current Trends in Drug Discovery Based on Artificial Intelligence and Computer-aided Drug Design: Part I.","authors":"Igor José Dos Santos Nascimento","doi":"10.2174/0115680266409158250430065509","DOIUrl":"https://doi.org/10.2174/0115680266409158250430065509","url":null,"abstract":"","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143957333","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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