Current medicinal chemistry最新文献

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Trends on Potential Boron-containing Drugs by Advancements in Ligand-protein Crystals Complexes. 从配体-蛋白晶体复合物的进展看潜在含硼药物的发展趋势。
IF 3.5 4区 医学
Current medicinal chemistry Pub Date : 2025-06-04 DOI: 10.2174/0109298673364996250507091821
Marvin A Soriano-Ursua, Paul Jelliss, R Ivan Cordova-Chávez, Diana Rodriguez-Vera, Yaqui Valenzuela-Schejtman, Hector Gonzalez-Espinosa, Sarai Martinez-Ceron, Eunice D Farfán-García
{"title":"Trends on Potential Boron-containing Drugs by Advancements in Ligand-protein Crystals Complexes.","authors":"Marvin A Soriano-Ursua, Paul Jelliss, R Ivan Cordova-Chávez, Diana Rodriguez-Vera, Yaqui Valenzuela-Schejtman, Hector Gonzalez-Espinosa, Sarai Martinez-Ceron, Eunice D Farfán-García","doi":"10.2174/0109298673364996250507091821","DOIUrl":"https://doi.org/10.2174/0109298673364996250507091821","url":null,"abstract":"<p><strong>Background: </strong>Boron-containing compounds (BCC) are attracting attention in drug design. Certain chemical features invite the exploration of efficacious interactions on known and potential drug targets for human use.</p><p><strong>Objective: </strong>The objective of this study is to analyze the reported crystal structure studies to determine trends resulting from the inclusion of boron atoms in potential drugs.</p><p><strong>Methods: </strong>Published data in the Protein Data Bank (PDB) with at least one BCC were analyzed; both ligands and targets were analyzed to describe the inferred or reported biological activity and the potential application as a drug in the treatment of human diseases.</p><p><strong>Results: </strong>Data from the PDB indicated targets for certain infectious diseases and cancers; however, potential treatments may extend to many other human pathologies as a consequence of the careful analysis of BCCs with proteins. All classes of enzymes and receptors have been crystallized with BCCs as ligands with most complexes demonstrating interactions in the regions known as relevant to protein function.</p><p><strong>Conclusion: </strong>The number of crystallized BCC-proteins complexes is increasing, and the variability of proteins expands the possibilities of medical applications. Currently, most systems are related to cancer growth and treatment, but deeper analysis may expand BCC utility and efficacy to many other chronic and degenerative diseases.</p>","PeriodicalId":10984,"journal":{"name":"Current medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144224666","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
A Genetic Perspective to Reveal the Impact of Mitochondrial Dysfunction-related Genes on Diabetic Kidney Disease: A Multi-omics Study. 从遗传学角度揭示线粒体功能障碍相关基因对糖尿病肾病的影响:一项多组学研究
IF 3.5 4区 医学
Current medicinal chemistry Pub Date : 2025-06-03 DOI: 10.2174/0109298673401081250523061057
Yan Zhang, Zeyuan Wang, Jin Shang, Yijun Dong, Zhanzheng Zhao
{"title":"A Genetic Perspective to Reveal the Impact of Mitochondrial Dysfunction-related Genes on Diabetic Kidney Disease: A Multi-omics Study.","authors":"Yan Zhang, Zeyuan Wang, Jin Shang, Yijun Dong, Zhanzheng Zhao","doi":"10.2174/0109298673401081250523061057","DOIUrl":"https://doi.org/10.2174/0109298673401081250523061057","url":null,"abstract":"<p><strong>Objective: </strong>This study investigated the causes of Mitochondrial Dysfunction (MD) in Diabetic Kidney Disease (DKD) progression, and identified genes associated with DKD, especially those with significant genetic causal effects, to provide a theoretical basis for DKD treatment.</p><p><strong>Methods: </strong>Using a large database and single-cell RNA sequencing (scRNA-seq) data, 333 MDRDEGs were discovered. MDRDEGs were linked to AGE-RAGE signaling, RNA processing, protein transport, and energy metabolism using functional enrichment analysis. Seven MDRDEGs with significant genetic causal effects in DKD were discovered using SMR and MR analyses: ACTN1, ALG11, CCNB1, HIVEP2, MANBA, TUBA1A, and WFS1. Co-localization and scRNA-seq analyses examined these genes' DKD connections. Due to the high significance of its prediction model and DKD expression, ACTN1 was studied in depth. PheWAS and molecular dynamics analysis assessed ACTN1's safety and efficacy as a therapeutic target, and its connection with other symptoms. ACTN1 protein expression in DKD tissues was confirmed by immunofluorescence.</p><p><strong>Results: </strong>Functional enrichment analysis revealed that MDRDEGs were mostly related to AGE-RAGE signaling, RNA processing, protein transport, and energy metabolism. Seven MDRDEGs caused DKD genetically in SMR and MR investigations. Genetic variations in ACTN1, ALG11, MANBA, and TUBA1A were linked to DKD by co-localization studies. scRNA-seq showed a dramatic increase in ACTN1 expression in DKD. Molecular dynamics analysis demonstrated that Dihydroergocristine can safely bind to ACTN1, while the PheWAS investigation found no significant relationships. DKD tissues exhibited higher ACTN1 protein levels via immunofluorescence.</p><p><strong>Discussion: </strong>This study identified MDRDEGs linked to inflammation, cytoskeletal stabilization, and glucose metabolism pathways critical in Diabetic Kidney Disease (DKD) pathogenesis, highlighting their clinical potential as therapeutic targets. Notably, ACTN1 emerged as a causally linked gene overexpressed in DKD, with the prediction of dihydroergocristine as a targeting compound, offering novel avenues for clinical intervention.</p><p><strong>Conclusion: </strong>This study suggests that ACTN1 may be a therapeutic target for DKD and sheds light on its molecular pathogenesis, clinical prevention, and treatment.</p>","PeriodicalId":10984,"journal":{"name":"Current medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144215209","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
Recent Advances in FLT3-Based Dual Inhibitors: A Promising Strategy for the Treatment of Acute Myeloid Leukemia. 基于flt3的双重抑制剂的最新进展:一种治疗急性髓系白血病的有希望的策略。
IF 3.5 4区 医学
Current medicinal chemistry Pub Date : 2025-06-03 DOI: 10.2174/0109298673382296250520095501
Haibin Yuan, Jinxin Che, Tao Liu
{"title":"Recent Advances in FLT3-Based Dual Inhibitors: A Promising Strategy for the Treatment of Acute Myeloid Leukemia.","authors":"Haibin Yuan, Jinxin Che, Tao Liu","doi":"10.2174/0109298673382296250520095501","DOIUrl":"https://doi.org/10.2174/0109298673382296250520095501","url":null,"abstract":"<p><p>Acute Myeloid Leukemia (AML) is a hematological malignancy known for its aggressive nature, resistance to therapies, and high relapse rates. Approximately onethird of AML cases involve mutations in the FLT3 gene, making it a pivotal target for treatment strategies. Early FLT3 inhibitors demonstrated efficacy initially, yet subsequent issues with drug resistance and disease recurrence underscored the multifaceted challenges of AML management. Immunotherapy and combination therapies are effective strategies to overcome resistance, but there are limitations, such as toxic side effects. In contrast, FLT3 dual-target inhibitors exhibit excellent anti-tumor effects, while being safer and more controllable. Several of these inhibitors have progressed to clinical trials, underscoring their potential in advancing therapeutic options for AML. This review explores the synergistic potential of targeting FLT3 kinase in conjunction with other anti-cancer mechanisms and provides an overview of recent advancements in FLT3 dual-target inhibitors over the past decade.</p>","PeriodicalId":10984,"journal":{"name":"Current medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144215124","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
Artificial Intelligence in Oral Cancer Diagnosis: Overcoming Challenges for Enhanced Outcomes. 口腔癌诊断中的人工智能:克服挑战提高结果。
IF 3.5 4区 医学
Current medicinal chemistry Pub Date : 2025-06-02 DOI: 10.2174/0109298673372251250508115914
Thangavel Lakshmipriya, Subash C B Gopinath
{"title":"Artificial Intelligence in Oral Cancer Diagnosis: Overcoming Challenges for Enhanced Outcomes.","authors":"Thangavel Lakshmipriya, Subash C B Gopinath","doi":"10.2174/0109298673372251250508115914","DOIUrl":"https://doi.org/10.2174/0109298673372251250508115914","url":null,"abstract":"<p><p>Oral-related cancer accounts for the sixth leading cause of cancer-related deaths and one death every hour in the United States [1]. Several factors may contribute to the formation of oral tumors, including tobacco use, alcohol consumption, unhealthy diets low in fruits and vegetables, age, and general lifestyle. Smoking and alcohol consumption, in particular, have been found to contribute 80% and 61% to oral cancer in men and women, respectively [2]. It is also well-known that oral cancer is more prevalent in underprivileged groups, where access to healthcare and health education, particularly education on making informed decisions to protect one's health, is often not prioritized or enforced. In recent studies, besides tobacco and alcohol, HPV has been identified as a prominent risk factor, particularly HPV type 16, for oropharyngeal cancer. This virus is often associated with oropharyngeal cancers, which occur in the tonsils and base of the tongue.</p>","PeriodicalId":10984,"journal":{"name":"Current medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144207945","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 Multitarget Therapeutic Potential of Mangostin Derivatives. 山竹苷衍生物多靶点治疗潜力的探索。
IF 3.5 4区 医学
Current medicinal chemistry Pub Date : 2025-06-02 DOI: 10.2174/0109298673312729250514115343
Jordan Joon-Yip Lew, Yeun-Mun Choo
{"title":"Exploring the Multitarget Therapeutic Potential of Mangostin Derivatives.","authors":"Jordan Joon-Yip Lew, Yeun-Mun Choo","doi":"10.2174/0109298673312729250514115343","DOIUrl":"https://doi.org/10.2174/0109298673312729250514115343","url":null,"abstract":"<p><p>Mangostins and their derivatives exhibit broad therapeutic potential, with structural modifications enhancing their efficacy against cancer, inflammation, neurodegenerative disorders, oxidative stress, and microbial infections. Modified derivatives have demonstrated improved effectiveness in cancer treatment. They exhibit potent anti- inflammatory effects for conditions like pulmonary fibrosis and Parkinson's disease and neuroprotective benefits through cholinesterase inhibition and protection against oxidative damage. For example, structural modifications of α-mangostin (1) significantly enhanced its cytotoxicity, with the 3,6-dibenzylated (4) derivative achieving three times greater efficacy against HL-60 cells and diacetyl (8) and benzoyl (9) derivatives and two- and four-fold improvements against HT-29 cells. The enhanced antioxidant properties of these derivatives improve radical scavenging, lipid protection, and metal ion binding. They possess antimicrobial properties against multidrug-resistant bacteria and fungi, with several derivatives exhibiting high membrane selectivity, low toxicity, and strong in vivo efficacy. Their antimalarial, antiparasitic, and antiviral activities further expand their therapeutic uses, including inhibition of viral proteases. Structural modifications of α-mangostin (1) show promising clinical applications, including enhanced cytotoxicity in cancer therapy with the 3,6-dibenzylated (4), diacetyl (8), and benzoyl (9) derivatives, potent anti-inflammatory activity with PDE4-targeting compound (43), and effective antimicrobial properties in derivatives (18 and 22) against multidrug-resistant infections.</p>","PeriodicalId":10984,"journal":{"name":"Current medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144207947","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
Metformin Protects Human Insulin from Fructosylation: An in Vitro Biochemical Study. 二甲双胍保护人胰岛素果糖化:一项体外生化研究。
IF 3.5 4区 医学
Current medicinal chemistry Pub Date : 2025-06-02 DOI: 10.2174/0109298673397564250529061139
Ali Raza, Safia Habib, Saba Noor, Ayaz Ahmad, Mohd Sharib Warsi, Moinuddin -, Asif Ali, Riaz Mahmood
{"title":"Metformin Protects Human Insulin from Fructosylation: An in Vitro Biochemical Study.","authors":"Ali Raza, Safia Habib, Saba Noor, Ayaz Ahmad, Mohd Sharib Warsi, Moinuddin -, Asif Ali, Riaz Mahmood","doi":"10.2174/0109298673397564250529061139","DOIUrl":"https://doi.org/10.2174/0109298673397564250529061139","url":null,"abstract":"&lt;p&gt;&lt;strong&gt;Introduction: &lt;/strong&gt;Fructose, like other sugars and sugar metabolites, is capable of glycating protein. Insulin's fructosylation leads to the generation of Advanced Glycation End Products (AGEs). Reducing sugars reaction with proteins to form Schiff's bases, which are characterized by the presence of an imine (C=N) bond. The Schiff bases then undergo irreversible rearrangements, followed by the production of much more stable compounds called Amadori products. These Amadori products can further undergo oxidation, dehydration, cyclization, and condensation to form highly toxic advanced glycation end-products (AGEs). These processes are accompanied by oxidative stress, secondary structural perturbations, and altered morphology, progressing toward amyloidogenesis. Metformin, a biguanide, is the most common drug used to treat type 2 Diabetes Mellitus (T2DM).&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Aim: &lt;/strong&gt;The aim of this study was to evaluate the protective effect of metformin against fructosylation-induced cross-β structures and amyloid aggregations of human insulin.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Methods: &lt;/strong&gt;UV-absorbance and fluorescence spectroscopy, determination of carbonyl content, free lysine and arginine residues, determination of fructosamine content, SDS-PAGE, circular dichroism (CD) spectroscopy, dynamic light scattering, and scanning and transmission electron microscopy.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Results: &lt;/strong&gt;Physicochemical studies in the presence or absence of metformin revealed a concentration-dependent structural restoration of fructosylated insulin. Results from the thioflavin-T fluorescence assay suggested that metformin limited the transition of insulin from native to fibrillar state, which was validated by scanning and transmission electron microscopy. Metformin lowered the ThT fluorescence intensity in a concentration- dependent manner. The ThT-specific fluorescence intensity was reduced to 114 and 112.5%. The fluorescence intensity at 2.5 mM metformin was close to native insulin. Electron microscopy revealed that insulin fructosylated by 25 mM fructose in the presence of 2.5 mM metformin suppressed the formation of fibrillar structures. Dynamic light scattering data revealed the potential of metformin to conserve and reinstate the increased hydrodynamic radii (Rh) of fructosylated insulin close to the native conformer. The Rh values of native, fructosylated insulin and insulin incubated with fructose and metformin were found to be 2.65 ± 0.28, 307.6 ± 24.19 nm, and 110.1 ± 4.08 nm, respectively. This study also identified metformin as an antioxidant by protecting critical amino acid residues of the insulin domain.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Discussion: &lt;/strong&gt;The study reports the protective effects of metformin on insulin structure, conformation, and function. The findings suggest a potential role for metformin in improving the risk profile associated with insulin resistance due to altered structure or the accumulation of protein aggregates. Interaction studies ","PeriodicalId":10984,"journal":{"name":"Current medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144207949","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
Augmenting Chemotherapy Response in Ovarian Cancer: N-3 Polyunsaturated Fatty Acids Target TOP2A. 卵巢癌化疗反应增强:N-3多不饱和脂肪酸靶向TOP2A
IF 3.5 4区 医学
Current medicinal chemistry Pub Date : 2025-06-02 DOI: 10.2174/0109298673359261250504031207
Pradnya Gurav, Shubham Hajare, Venkateswara Swamy, Kedar R N
{"title":"Augmenting Chemotherapy Response in Ovarian Cancer: N-3 Polyunsaturated Fatty Acids Target TOP2A.","authors":"Pradnya Gurav, Shubham Hajare, Venkateswara Swamy, Kedar R N","doi":"10.2174/0109298673359261250504031207","DOIUrl":"https://doi.org/10.2174/0109298673359261250504031207","url":null,"abstract":"<p><strong>Introduction: </strong>Ovarian cancer, a significant contributor to global female mortality and the third most prevalent gynecological cancer in India, poses challenges for conventional treatments like chemotherapy and radiotherapy.</p><p><strong>Method: </strong>This study explores the effect of omega-3 polyunsaturated fatty acids (n-3 PUFAs) on the efficacy of chemotherapy, particularly doxorubicin (DOXO), in ovarian teratocarcinoma (PA-1) cells. Rigorous cell viability assays demonstrated that n-3 PUFAs in combination significantly enhanced DOXO-induced cytotoxicity, reducing cell survival and migration potential. N-3 PUFAs and DOXO synergistically reduced colony formation in the group receiving the combination treatment as seen in the clonogenic assays, as further validated by hanging drop and apoptosis assays results.</p><p><strong>Results: </strong>Network pharmacological investigations pinpointed the gene topoisomerase II A (TOP2A) as a pivotal target, while molecular docking simulations revealed structural similarities between n-3 PUFAs (DHA or EPA) and DOXO, implying probable common mechanisms such as DNA intercalation and topoisomerase II inhibition. Molecular dynamics simulations delineated distinct interaction profiles for Docosahexaenoic acid (DHA) and Eicosapentaenoic acid (EPA) with TOP2A, offering mechanistic insights. Combining computational and experimental methodologies reveals the synergistic benefits of n-3 PUFAs and DOXO in treating ovarian cancer, leading to improved therapeutic outcomes.</p><p><strong>Conclusion: </strong>These results provide a comprehensive view of the potential of combining n-3 PUFAs with DOXO for more potent ovarian cancer treatments.</p>","PeriodicalId":10984,"journal":{"name":"Current medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144207946","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
MDMA-Assisted Treatment for PTSD, Anxiety, and Depression: A Visualized Literature Analysis over 30 Years. mdma辅助治疗创伤后应激障碍、焦虑和抑郁:超过30年的可视化文献分析。
IF 3.5 4区 医学
Current medicinal chemistry Pub Date : 2025-06-02 DOI: 10.2174/0109298673359474250511181821
Jinlong Zhang, Xingxing Dang, Jiang Lin, Qianqian Chen, Binbin Wang, Jie Yan
{"title":"MDMA-Assisted Treatment for PTSD, Anxiety, and Depression: A Visualized Literature Analysis over 30 Years.","authors":"Jinlong Zhang, Xingxing Dang, Jiang Lin, Qianqian Chen, Binbin Wang, Jie Yan","doi":"10.2174/0109298673359474250511181821","DOIUrl":"https://doi.org/10.2174/0109298673359474250511181821","url":null,"abstract":"<p><strong>Background: </strong>The incidence of psychiatric disorders, such as post-traumatic stress disorder (PTSD), anxiety, and depression, has been steadily increasing, while current treatment approaches remain limited in efficacy. As a result, there is an urgent need to explore more effective therapeutic interventions. In recent years, MDMA (3,4- methylenedioxymethamphetamine)-assisted therapy (MDMA-AT) has emerged as a promising and innovative approach, demonstrating favorable clinical potential in the treatment of these disorders. Although preliminary studies have confirmed its therapeutic efficacy, a comprehensive and systematic analysis of the research trends and current limitations of MDMA-AT remains lacking.</p><p><strong>Methods: </strong>This study employed a bibliometric approach to systematically retrieve and analyze research literature published between 1994 and 2023 on the application of MDMA in the treatment of PTSD, anxiety, and depression. Relevant data were obtained from three prominent databases: Web of Science Core Collection, PubMed, and Scopus. VOSviewer and Microsoft Excel were used to perform visual and quantitative analyses, focusing on publication trends, research hotspots, prolific authors, leading institutions, and international collaboration networks.</p><p><strong>Results: </strong>The findings indicated a substantial increase in MDMA-related research over the past decade. The United States has led the field in publication output, with the Multidisciplinary Association for Psychedelic Studies (MAPS) identified as the most productive institution. Key figures, such as Rick Doblin, have demonstrated high influence and centrality within the global research network. The research focus has gradually shifted from investigations of the neurotoxic properties of MDMA to explorations of its therapeutic mechanisms, safety profiles, and clinical applications.</p><p><strong>Conclusion: </strong>This study provides a comprehensive synthesis of the past thirty years of research on MDMA-AT in the treatment of PTSD, anxiety, and depression, identifying major research trajectories and critical challenges in the field. While current findings highlight the therapeutic promise of MDMA and its translational potential, further research is needed to improve trial design, enhance sample diversity, and evaluate long-term effects in order to support the standardization and evidence-based integration of MDMA- assisted therapy into clinical practice.</p>","PeriodicalId":10984,"journal":{"name":"Current medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144207948","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
Protein-Ligand Docking Simulations for Drug Discovery. 药物发现中的蛋白质配体对接模拟。
IF 3.5 4区 医学
Current medicinal chemistry Pub Date : 2025-05-29 DOI: 10.2174/0109298673410629250520111827
Stephanie Baud, Walter Filgueira de Azevedo
{"title":"Protein-Ligand Docking Simulations for Drug Discovery.","authors":"Stephanie Baud, Walter Filgueira de Azevedo","doi":"10.2174/0109298673410629250520111827","DOIUrl":"https://doi.org/10.2174/0109298673410629250520111827","url":null,"abstract":"","PeriodicalId":10984,"journal":{"name":"Current medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144198422","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
The Role of CDKs in the Regulation of the Monocyte/Macrophage Immune Response. CDKs在单核/巨噬细胞免疫应答调节中的作用。
IF 3.5 4区 医学
Current medicinal chemistry Pub Date : 2025-05-29 DOI: 10.2174/0109298673365178250414074531
Alexander N Neznamov, Yulia P Baykova, Marina V Kubekina
{"title":"The Role of CDKs in the Regulation of the Monocyte/Macrophage Immune Response.","authors":"Alexander N Neznamov, Yulia P Baykova, Marina V Kubekina","doi":"10.2174/0109298673365178250414074531","DOIUrl":"https://doi.org/10.2174/0109298673365178250414074531","url":null,"abstract":"<p><p>Monocytes/macrophages play an important role in controlling the onset and progression of inflammatory responses by changing their activation state. Inflammation accompanies some slowly progressing pathologies, such as neurodegenerative diseases, rheumatoid arthritis, atherosclerosis, and other inflammatory disorders. Monocyte/- macrophage differentiation and polarization are accompanied by transcriptional profile changes. A better understanding of the specific ligands and receptors involved in the regulation of immune cell transcription will help to identify selective molecular targets for the therapy of inflammatory diseases. CDKs are key regulators of cell cycle and transcription in eukaryotes. Thus, this review is aimed to examine the role of CDKs in the monocyte-macrophage response and the data obtained from relevant experiments. M1 macrophages can trigger harmful inflammatory responses. A potential solution is to shift the polarization of macrophages towards the protective anti-inflammatory M2 phenotype (macrophage reprogramming). The mechanisms regulating this switch are crucial for the proper functioning of monocytes and macrophages. Inhibition of different types of CDKs leads to changes in the functional activity of monocytes/macrophages. It has been shown that monocytes/macrophage differentiation and immune functions are dependent on CDK activity. Recent studies on CDKs and their role in the immune system have concluded that their activity plays an essential role in monocyte/macrophage differentiation and immune functions. However, the role of CDKs in monocytes, macrophages, and the immune response is not fully understood. Unraveling the role of transcriptional regulators could provide valuable insights for the development of new treatments for macrophage-mediated inflammatory diseases.</p>","PeriodicalId":10984,"journal":{"name":"Current medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":3.5,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144198424","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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