Current topics in medicinal chemistry最新文献

{"title":"Artificial Intelligence-Driven Innovations in Pharmaceutical Development and Drug Delivery Systems.","authors":"Ting Zhu, Bing Liu, Ning Chen, Yuchen Liu, Zixuan Wang, Xue Tian","doi":"10.2174/0115680266373236250411060857","DOIUrl":"https://doi.org/10.2174/0115680266373236250411060857","url":null,"abstract":"<p><p>As Artificial Intelligence (AI) technology rapidly advances, its application in pharmaceutical formulation design and Drug Delivery Systems (DDS) is expanding, revealing significant potential. AI technology has played a role in optimizing drug design, enhancing research and development efficiency, and improving the safety profiles of pharmaceutical products, thereby supporting the realization of personalized medicine. This article systematically examines the foundational applications and principles of AI in pharmaceutical formulation, while also evaluating its role in key areas such as drug development, manufacturing, quality control, and ADME/T (absorption, distribution, metabolism, excretion, and toxicity) prediction. In particular, AI can enhance prediction accuracy for drug solubility, stability, and bioavailability, while optimizing novel DDS through Machine Learning (ML) models, such as nanocarrier design and personalized drug release control. Furthermore, AI has been pivotal in advancing intelligent manufacturing technologies, including three-dimensional printing (3D printing) and continuous manufacturing. Finally, the article explores the opportunities and challenges presented by AI in drug development, regulation, and policymaking. Overall, AI's integration promises to revolutionize pharmaceutical development and regulatory practices.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144062661","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}

{"title":"Nanoencapsulation of Essential Oil: A Tailored System of Green Therapeutic Potential.","authors":"Shefali Arora, Sukanya Chhetri, Pankaj Bhandari","doi":"10.2174/0115680266342801250303004033","DOIUrl":"https://doi.org/10.2174/0115680266342801250303004033","url":null,"abstract":"<p><p>Essential oils (EOs) are at the forefront of the pharmaceutical industry today and have been rekindled as natural drugs with innovative techniques. However, many factors related to their volatility and deterioration can be captured by encapsulation. The nanoencapsulation of EO is a novel development to protect EOs from environmental factors in order to retain their biochemical and pharmacological properties, thus leading toward sustainable health advancement. Nanoencapsulation of essential oil (EO) is a fascinating technique to solve the instability problem of EOs in the presence of light, air, moisture, and temperature variations. In addition to this, this process ensures safer handling with controlled release, along with improved efficacy and bioavailability. This review outlines the most outstanding methods for the nanoencapsulation of EOs and their mechanism of action against disease pathogenesis.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143983240","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}

{"title":"Advancements in Herbal Drug Loaded Nanoparticulate System for Antimicrobial Effect.","authors":"Anjali Rana, Arun Mittal, Chetan Vashist, Shivam Rajput, Sathvik Belagodu Sridhar, Sangeet Sharma, Rishabha Malviya","doi":"10.2174/0115680266366494250411164750","DOIUrl":"https://doi.org/10.2174/0115680266366494250411164750","url":null,"abstract":"<p><p>Herbal medicinal compounds have fewer side effects than modern drugs. Herbal materials are primary medicines and have strong antibacterial characteristics, thus most people throughout the world utilize them. Poor solubility, low bioavailability, instability in the biological environment, and substantial first-pass metabolism are some of the challenges associated with delivering plant/herbal medicinal compounds as pharmaceuticals. The use of appropriate nanotechnology for attachment or encapsulation can circumvent these drawbacks of herbal medications. To efficiently administer herbal medications, nanoparticulate formulations such as microemulsions, solid lipid nanoparticles, polymeric nanoparticles, liposomes, and proliposomes are being considered. This article aims to effectively examine the ability of herbal drugs that contain NP to combat microorganisms as well as a variety of herbal plants with antibacterial properties, including thyme, clove, garlic, mallow, chamomile, and mentha pulegium. This comprehensive analysis is timely and necessary since nanotechnology is a promising prospect in infectious disease treatment. Additionally, recent advances in producing herbal medicine formulations based on nanoparticle technologies are also summarised in this review article.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143972506","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}

{"title":"Superbug Neisseria gonorrhoeae Infections: The Role of the Moonlighting Protein Glutamate Racemase in Treatment and Prevention.","authors":"Sujata Adhana, Ravi Jain, Sibasis Sahoo, Sheetal Thakur, Archna Pandey, Avneesh Mittal, Bishwajit Kundu, Uma Chaudhry","doi":"10.2174/0115680266365593250415101135","DOIUrl":"https://doi.org/10.2174/0115680266365593250415101135","url":null,"abstract":"<p><strong>Introduction: </strong>Neisseria gonorrhoeae is a notorious superbug responsible for causing 'Gonorrhoea' in humans. Recently, it has been classified as a high-priority pathogen by the World Health Organization due to its increasing resistance to available antibiotics. A multi-prolonged approach is needed to combat the growing problem of drug resistance caused by N. gonorrhoeae. This study evaluates Glutamate Racemase (GR), a moonlighting protein of N. gonorrhoeae (Ng- GR), as a novel therapeutic target with potential for both inhibitor design and peptide vaccine development. Ng-GR plays a crucial role in the peptidoglycan biosynthetic pathway and is highly conserved across bacterial species. Additionally, this protein moonlights to perform a secondary function by binding to DNA gyrase in various organisms.</p><p><strong>Method: </strong>Homology modeling, molecular docking, and molecular dynamics simulations were used to design inhibitors targeting the moonlight function of Ng-GR. The immunogenicity of this protein was assessed using ABCPred-2.0, BepiPred-2.0, and ProPred software.</p><p><strong>Results: </strong>Bisleucocurine A was found to bind at the ectopic site of Ng-GR, disrupting its crucial moonlight function and interfering with the interaction between Ng-GR and N. gonorroheae DNA Gyrase (Ng-gyrase). Interestingly, residues important for its moonlight function were also identified as key immunogenic sites using ABCPred-2.0, BepiPred-2.0, and ProPred software, enhancing the potential of this protein as a vaccine candidate.</p><p><strong>Conclusion: </strong>The GR enzyme's moonlight function is highlighted as a promising novel target for therapeutic intervention and vaccine development in N. gonorrohoeae.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143984885","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}

{"title":"Phytomolecules from Herbs: Possible Effective Way for the Treatment of Liver Cancer.","authors":"Sweta Mohan, Anupam Maurya, Raman Mohan Singh","doi":"10.2174/0115680266321814250228070642","DOIUrl":"https://doi.org/10.2174/0115680266321814250228070642","url":null,"abstract":"<p><p>Liver cancer is the sixth most commonly diagnosed cancer globally, accounting for approximately 50% of all diagnosed cases and associated mortalities. The principal therapeutic strategies for liver cancer presently include surgical intervention, radiotherapy, and laser ablation therapies. All these therapies are effective for liver cancer at an early stage and have limited efficacy for advanced-stage cancer due to severe side effects and drug resistance. The plantderived natural product, i.e. phyto-constituents, has been evaluated as a potential anticancer drug due to low side effects and antitumor efficacy. Many studies support the effectiveness of active phytoconstituents found in various plants such as garlic, turmeric, tomatoes, grapes, pomegranates, plums, black currants, French beans, cruciferous vegetables, ginger, and asparagus. These plants are reported to have very diversified groups of compounds such as alkaloids, flavonoids, phenolics, terpenoids, coumarin, etc., attributed to medicinal values and biological activities such as antiviral, antioxidant, anti-inflammatory, anticancer, etc. These plants provide important nutrients and help to maintain health, thereby reducing the risk of disease. Almost 50 drugs are directly or indirectly derived from natural sources because of minimum side effects and diversified chemical compounds. In this review, the anticancer properties of edible plants-derived phytomolecules, such as glycyrrhizin, triptolide, celastrol, berberine hydrochloride, curcumin, stilbenes, etc., against Hepatocellular Carcinoma (HCC) are discussed in detail. Phytomolecules discussed in this review for HCC could be promising leads or drugs as anticancer agents from economical and easily available plant sources.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143962050","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}

{"title":"Alzheimer's Disease and Polymeric Nanocarriers: Synergistic Advances in Targeted Drug Delivery.","authors":"Lalit Kumar, Ritesh Rana, Nusrat K Shaikh, Aman Thakur, Swati Kashyap, Vikas Aggarwal, Vuluchala Jyothiraditya","doi":"10.2174/0115680266347890250409153450","DOIUrl":"https://doi.org/10.2174/0115680266347890250409153450","url":null,"abstract":"<p><strong>Introduction: </strong>Alzheimer's disease (AD) is a prominent neurodegenerative ailment characterized by the constraints of conventional therapies stemming from insufficient medication transport to the brain. This review examines the function of polymeric nanocarriers (PNCs) in improving therapeutic efficacy for Alzheimer's disease treatment.</p><p><strong>Methods: </strong>We analyze the principal obstacles to Alzheimer's disease drug delivery: the blood-brain barrier, the blood-cerebrospinal fluid barrier, and multidrug resistance proteins. The review examines three categories of PNCs: polymeric nanoparticles, polymeric micelles, and dendrimers, and their capacity to surmount these obstacles. Literature investigations used search engines like Pub- Med, Google Scholar, and ScienceDirect.</p><p><strong>Results: </strong>PNCs exhibit superior drug delivery via better biocompatibility, regulated release, and targeted delivery mechanisms. Recent studies demonstrate the effective delivery of several pharmaceuticals, including rivastigmine and galantamine, resulting in enhanced cognitive outcomes in Alzheimer's disease models. Patent research indicates an increase in innovation for PNC-based Alzheimer's disease treatments.</p><p><strong>Conclusion: </strong>Despite ongoing hurdles in biocompatibility and scalability, PNCs exhibit significant potential to transform Alzheimer's disease treatment by improving medication delivery across biological barriers. Current investigations in nanotechnology and combinatorial medicines indicate a favorable outlook for PNC-based medicinal strategies.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143973120","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}

{"title":"Design, Synthesis and Anti-Alzheimer's Activity of Some Hybrid Molecule of Oxymatrine Through TGF-β.","authors":"Subhendu Ghosh, Yogita Dhurandhar, Manoj Kumar Sahoo, Durlav Chowdhury, Ashmita Das, Deepshikha Verma, Surendra H Bodakhe, Jaya Agnihotri, Kamta P Namdeo","doi":"10.2174/0115680266345212250404071300","DOIUrl":"https://doi.org/10.2174/0115680266345212250404071300","url":null,"abstract":"<p><strong>Aims: </strong>This study aimed to investigate novel therapeutic approaches for Alzheimer's disease (AD) by targeting the Transforming Growth Factor-β (TGF-β) pathway using hybrid compounds derived from oxymatrine and amino acids.</p><p><strong>Background: </strong>AD remains a significant challenge in neurodegenerative disorders, necessitating innovative treatments that can mitigate its devastating effects. The TGF-β pathway has been implicated in AD pathogenesis, making it a promising target for therapeutic intervention.</p><p><strong>Objective: </strong>The objective of this study was to synthesize and evaluate the anti-AD activity of hybrid molecules combining oxymatrine with different amino acids. These compounds were designed to enhance blood-brain barrier permeability and selectively modulate TGF-β signaling.</p><p><strong>Method: </strong>Hybrid compounds were synthesized based on molecular docking studies. Characterization of synthesized compounds was performed using thin-layer chromatography (TLC), infrared spectroscopy (IR), and nuclear magnetic resonance (NMR) spectroscopy. Anti-AD activity was assessed using an AD rat model induced by a high-cholesterol diet, employing behavioral tests (radial arm maze and Hebb's Williams maze) and biochemical assays to measure Aβ and TGF-β levels.</p><p><strong>Result: </strong>All hybrid molecules exhibited significant anti-AD activity, with compound 3B demonstrating the highest efficacy at a dose of 100 mg/kg. Biochemical analyses revealed modulation of Aβ and TGF-β levels, indicating the compounds' potential therapeutic effects against AD.</p><p><strong>Conclusion: </strong>This study unveils a new class of hybrid compounds derived from oxymatrine and amino acids that effectively target the TGF-β pathway, offering promising therapeutic potential for AD. These compounds demonstrate neuroprotective properties, suggesting they may mitigate ADrelated pathology, including tau deposition, synaptic dysfunction, and cognitive decline.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143987180","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}

{"title":"A Comprehensive Review on the Application of Marketed Drugs as Ligands through Metallopharmaceutics.","authors":"Nagasubramanian Venkatasubramaniam, Margret Chandira Rajappa","doi":"10.2174/0115680266356941250329172041","DOIUrl":"https://doi.org/10.2174/0115680266356941250329172041","url":null,"abstract":"<p><p>Diabetes is a highly common chronic disorder of the endocrine system that affects 529 million people globally. Dysfunction of β-cells, impaired insulin secretion, and hyperactive α- cells are the primary reasons for this disease. Conventional therapy might fail since some drugs require specific conditions to achieve their maximum efficacy. Metallopharmaceutics is defined as the branch of pharmaceutics in which the activity of a compound is enhanced by complexation with a suitable metal. Several macrometals, such as copper, and micrometals, such as selenium, are used in this field and combined with organic ligands. Novel synthesis approaches, such as ultrasonication, have been employed to reduce the reaction time and increase the overall product yield. Even if spectral studies confirm the complexation of metals with chemically synthesized organic ligands, less medical evidence of antidiabetic activity exists. Hence, antidiabetic drugs, such as insulin, dapagliflozin, etc., exhibit better pharmacodynamics as metallocomplexes than the drugs themselves and have been chosen pharmacologically to act as ligands. Some metallocomplexes are multidimensional because they are not only antidiabetic but also antineoplastic. Thus, metallopharmaceuticals can lead to significant breakthroughs, not only in the treatment of diabetes but also in the pharmacotherapy of various diseases and disorders.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143982270","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}

{"title":"Exploring SGLT2 Inhibitors' Activity in Breast Cancer: An Overview.","authors":"Ritesh P Bhole, Gayatri S Maldhure, Harshad S Kapare, Sonali D Labhade, Shailendra S Gurav","doi":"10.2174/0115680266371287250402051235","DOIUrl":"https://doi.org/10.2174/0115680266371287250402051235","url":null,"abstract":"<p><p>Sodium‒glucose cotransporter 2 (SGLT2) inhibitors have become viable therapeutic options for treating breast cancer. Diabetes is the primary source of these medications. This research examines how SGLT2 blockers can induce apoptosis, decrease the amount of glucose taken up by cancer cells, and modify key signaling pathways, such as the PI3K/AKT/mTOR and MAPK pathways. The effects of four different SGLT2 inhibitors on breast cancer cells were investigated in this study via both in vitro and in vivo testing: dapagliflozin, ipragliflozin, canagliflozin, and empagliflozin. The potential synergistic effects of these inhibitors with conventional chemotherapy medications were also examined. This review explores the complex relationship between SGLT2 inhibitors and breast cancer, examining how drugs interact with this disease at various stages of its development. Additionally, this study highlights how SGLT2 inhibitors may be used in conjunction with precision medicine techniques to treat breast cancer. Although encouraging outcomes have been noted, this review highlights the necessity of additional clinical studies to evaluate the safety and effectiveness of SGLT2 blockers in patients with breast cancer, in addition to ongoing research into the molecular mechanisms underlying the anticancer effects of these drugs.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143984882","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}

{"title":"An Insight into the Recent Advancement in Anti-Alzheimer's Potential of Indole Derivatives and their SAR Study.","authors":"Ritam Mondal, Deepika Paliwal, Aman Thakur, Niranjan Kaushik","doi":"10.2174/0115680266358563250331175140","DOIUrl":"https://doi.org/10.2174/0115680266358563250331175140","url":null,"abstract":"<p><p>Alzheimer is a progressive neurodegenerative disease characterized by change in brain that led to the buildup of specific proteins, ultimately causing brain shrinkage and the death of brain cells. It is the leading cause of dementia, manifesting as a gradual decline in memory, cognitive abilities, behavior, and social functioning, which severely impairs a person's ability to carry out daily activities. The complexity of Alzheimer's poses significant challenges to modern medicine, making the development of new therapeutic strategies crucial. Indole derivatives, with their broad spectrum of pharmacological activities, have garnered attention for their potential in treating Alzheimer's disease. This review provides a detailed summary of recent progress in developing indole derivatives as therapeutic agents for Alzheimer's disease. It thoroughly examines the pharmacological properties of various indole derivatives, including their mechanisms of action. These compounds have been shown to influence several processes, such as amyloid-beta aggregation, MAO inhibition, AChE and BuChE inhibition. Furthermore, this review discusses the structural modifications of indole derivatives designed to improve their therapeutic effectiveness.</p>","PeriodicalId":11076,"journal":{"name":"Current topics in medicinal chemistry","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143962048","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}