Current drug discovery technologies最新文献

{"title":"Discovery of Phytochemicals as Inhibitors of Human Metapneumovirus: In-Silico Docking Studies.","authors":"Veerachamy Alagarsamy, Mohaideen Thasthagir Sulthana, Viswas Raja Solomon, Mallick Maidul Islam, Sangeeta Dhanwar, Mohammad Akbar Suhana, Shaik Ibrahim, Govindaraj Sabarees, Sankaranarayanan Murugesan, Ala Chandu","doi":"10.2174/0115701638436632260622184456","DOIUrl":"https://doi.org/10.2174/0115701638436632260622184456","url":null,"abstract":"<p><strong>Introduction: </strong>Human metapneumovirus (HMPV) remains a leading cause of severe paediatric and geriatric respiratory morbidity, manifesting in pathologies from bronchiolitis to pneumonia. Despite its clinical burden, no licensed vaccines or targeted antivirals exist. This study utilizes an advanced computational pipeline to identify novel therapeutic leads targeting two high-consequence viral proteins: the Fusion (F) protein, essential for viral-cell entry, and the M2-1 matrix protein, a critical processivity factor for viral replication.</p><p><strong>Methods: </strong>A library of plant-derived bioactive compounds was screened using an integrated in silico framework. Molecular docking was performed using AutoDock Vina to quantify binding energies. The structural stability and conformational flexibility of the top-ranking ligand-protein complexes were rigorously validated through 100ns molecular dynamics (MD) simulations using the Desmond module. Furthermore, ADMETlab 3.0 was utilized to perform comprehensive pharmacokinetic profiling and toxicity assessments.</p><p><strong>Results: </strong>Several phytochemicals demonstrated superior binding efficacy compared to the reference antiviral ribavirin (Glide binding scores: -5.6 to -7.6 kcal/mol). Notably, somniferine and 17-α-hydroxy withanolide D were identified as the most promising candidates, exhibiting exceptional affinity for both F and M2-1 targets, with high binding scores. Other high-affinity leads include withanolide derivatives (C, L, D, and S) and sitoindoside IX. MD simulations confirmed that these phytochemicals maintained high structural stability within the binding pockets, characterized by minimal RMSD fluctuations.</p><p><strong>Discussion: </strong>Considering high binding affinities as well as stabilities of the docked poses confirmed with MD simulations studies shows that withanolide derivatives are capable of inhibiting key proteins of HMPV, which are responsible for viral entry and replication. The high binding affinity as well as sustained interactions of somniferine and 17-α-hydroxy withanolide D at active sites of F and M2-1 proteins indicate that these phytochemicals present in plants may act as potential lead compounds for drug development against HMPV.</p><p><strong>Conclusion: </strong>These findings identify somniferine and related withanolides, especially 17-α-hydroxy withanolide D, as promising scaffold candidates for HMPV therapeutic development. Their favourable drug-likeness and superior binding energies relative to ribavirin suggest high potential for further optimization. While these in-silico results are robust, subsequent in-vitro neutralizing assays and in-vivo toxicity studies are warranted to translate these leads into clinically useful agents.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148378687","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"From Molecules to Manufacturing: Expanding Role of Artificial Intelligence in Pharmaceutical Sciences.","authors":"B Narasimha Rao, S Nashrah Nasreen, S Abdur Rehman, S Abujar, S Meghana, S Johny, P Gowtham Kumar Reddy, J P Yanadaiah, Nimbagal Raghavendra Naveen","doi":"10.2174/0115701638420576251205164238","DOIUrl":"https://doi.org/10.2174/0115701638420576251205164238","url":null,"abstract":"<p><p>Artificial Intelligence (AI) addresses many complex problems by rapidly imitating human cognitive abilities. In the pharmaceutical industry, AI is transforming the processes of discovery, formulation, nanomedicine development, and manufacturing. These applications significantly reduce cost, time, and human error. A snapshot of AI applications in the pharmaceutical sector is presented, highlighting their advantages over traditional practices. Key applications include predictive modeling for drug design, the development of intelligent nanocarriers, and adaptive learning with feedback-based process improvements for production. Additionally, AI enhances quality assurance, streamlines research and development, and supports better decision-making during clinical and manufacturing processes. By integrating AI into their workflows, pharmaceutical companies can increase productivity, improve therapeutic quality, and accelerate the development of innovative products, as intelligent systems play an increasingly vital role in modern drug development and healthcare delivery.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-06-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148364414","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effects of Ganoderma lucidum Polysaccharide Peptide on Inflammatory and Metabolic Biomarkers in Obese Patients with Cardiometabolic Syndrome: A Randomized Controlled Trial.","authors":"Nuril Farid Abshori, Syanindita Wardhani, Fatahillah Fatoni, Tio Fauzi, Raihan Mardliyyah, Moch Satrio Negara, Aldivo Pradana, Derren Rampengan, Achmad Arif, Iwal Ahdi, Djanggan Sargowo, Muhammad Iqhrammullah","doi":"10.2174/0115701638439377260608201603","DOIUrl":"https://doi.org/10.2174/0115701638439377260608201603","url":null,"abstract":"<p><strong>Background: </strong>Cardiometabolic syndrome (CMS) is a major contributor to atherosclerosis and cardiovascular events through persistent subclinical inflammation. While conventional pharmacotherapy addresses metabolic risk factors, residual inflammatory risk remains inadequately con-trolled. Ganoderma lucidum polysaccharide peptide (GLPP) has demonstrated anti-inflammatory and antioxidant properties in preclinical models; however, robust clinical evidence in CMS patients is still limited. This study aimed to evaluate the anti-inflammatory and metabolic effects of GLPP supplementation in obese patients with cardiometabolic syndrome.</p><p><strong>Method: </strong>A double-blind, randomized, placebo-controlled trial was conducted involving 60 eligible CMS patients, randomly assigned to receive either GLPP (n = 30; 250 mg three times daily) or plcebo (n = 30) for 8 weeks. Primary outcomes were changes in inflammatory biomarkers (TNF-α, IL-6, hsCRP). Secondary outcomes included nitric oxide (NO), lipid profiles (total cholesterol, triglycerides, HDL, LDL), and BMI. Biomarkers were assessed pre- and post-intervention using ELISA and automated analyzers.</p><p><strong>Result: </strong>Sixty patients were randomized to the GLPP group (n = 30) or placebo group (n = 30) and completed the intervention. There were no significant differences between the two groups in inflammatory markers such as IL-6 (p = 0.366), TNF-α (p = 0.274), hsCRP (p = 0.918), nitric oxide (p = 0.949), or lipid profile such as total cholesterol (p = 0.966), triglycerides (p = 0.791), HDL (p = 0.242), LDL (p = 0.437), and BMI (p = 0.423).</p><p><strong>Discussion: </strong>This study found no significant differences between the two groups in inflammatory markers and lipid profiles. The results may have been influenced by concomitant medications, unassessed lifestyle factors, short intervention duration, and limited sample size. Therefore, future studies should consider pharmaceutical formulation approaches, such as nanoparticle-based or encapsulated drug delivery systems, along with the addition of prebiotics or probiotics to improve gut microbiota composition, to enhance the intestinal absorption and systemic biological activity of GLPP.</p><p><strong>Conclusion: </strong>GLPP showed no significant effects on inflammatory or metabolic parameters compared with placebo. Future studies should consider dose optimization, longer intervention periods, larger sample sizes, and bioavailability-enhancing strategies to improve its therapeutic potential.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148274415","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Targeting Biofilm Formation in Acinetobacter baumannii: In Silico Discovery of Novel Candidate Inhibitors for Acyl-Homoserine Lactone Synthase.","authors":"Tejveer Singh, Rashmi Prabha Singh, Monika Jain, Jayaraman Muthukumaran, Amit Kumar Singh","doi":"10.2174/0115701638450698260520051756","DOIUrl":"https://doi.org/10.2174/0115701638450698260520051756","url":null,"abstract":"<p><strong>Introduction: </strong>Acinetobacter baumannii, a Gram-negative member of the ESKAPE pathogens, has emerged as a pivotal cause of multidrug-resistant hospital-acquired or nosocomial infections worldwide. Its ability to regulate virulence and biofilm formation through quorum sensing (QS) significantly contributes to its virulence and pathogenicity. Acyl-homoserine lactone synthase (AHLS) from the A. baumannii AYE strain plays a key role in the QS pathway and represents a promising druggable target for the development of anti-bacterial strategies.</p><p><strong>Methodology: </strong>A homology-modeled three-dimensional structure of AHLS (AYE strain) was predicted, optimized, and validated. High-throughput virtual screening of 975 natural antimicrobial compounds was performed, followed by Lipinski's and ADMET profiling to assess drug-likeness and safety. Promising drug candidates were further evaluated using 100ns molecular dynamics (MD) simulations to identify putative AHLS inhibitors.</p><p><strong>Results: </strong>MM/PBSA based binding free energy calculations revealed favorable interactions for CID_291096 (-14.74 ± 2.20 kcal/mol), CID_155586 (-15.26 ± 2.27 kcal/mol), and MSID_001127 (-28.44 ± 3.32 kcal/mol). Among these, MSID_001127 (Lovastatin) demonstrated superior structural stability and sustained intermolecular non-covalent interactions throughout the 100ns MD simulation. Structural stability was further supported by RMSD, RMSF, Rg, SASA, PCA, and hydrogen-bonding analyses.</p><p><strong>Discussion: </strong>Through virtual screening, three phytochemical lead compounds targeting AHLs with high negative binding free energies were identified. Stable protein-ligand interactions and favourable binding energetics were identified by molecular docking, 100 ns molecular dynamics simulations, and MM/PBSA analyses. Based on the results, ligand MSID_001127 was the most promising lead candidate compared with cipargamin. However, additional experimental validation is required to verify its therapeutic potential and biological activity.</p><p><strong>Conclusion: </strong>These findings suggest that Lovastatin may be a promising drug candidate for AHLS targeting the QS pathway of A. baumannii. The results warrant further experimental validation to explore its potential as an anti-bacterial therapeutic agent.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148274381","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Using Computational Intelligence to Connect Data and Drug Design in Medicinal Chemistry: A Review.","authors":"Sujeet Maurya, Amrita Singh, Ajay Kumar, Vishnu Dev Verma","doi":"10.2174/0115701638439592260516051944","DOIUrl":"https://doi.org/10.2174/0115701638439592260516051944","url":null,"abstract":"<p><p>The landscape of drug discovery is being rapidly transformed by the integration of computational intelligence (CI) techniques with big data resources in medicinal chemistry. Traditional drug development methods are often time-consuming, costly, and prone to high attrition rates. In contrast, data-driven and algorithmic approaches-powered by machine learning, deep learning, and hybrid models-enable rapid, precise, and predictive decision-making across all phases of drug design. This review provides a comprehensive overview of how CI techniques, including supervised and unsupervised learning, convolutional and recurrent neural networks, evolutionary algorithms, and fuzzy logic systems, are reshaping drug discovery pipelines. We explore the role of massive chemical and biological databases such as PubChem, ChEMBL, DrugBank, and the Protein Data Bank, while also highlighting the importance of data quality, curation, and standardization. The integration of computational tools in drug discovery is discussed across key stages-target identification, hit discovery, lead optimization, and de novo molecular design-supported by examples such as AlphaFold, Atomwise, and In silico Medicine. This review aims to offer a holistic understanding of how computational intelligence, when combined with robust data infrastructure, can significantly accelerate the discovery and development of safer, more effective drugs.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148207295","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fused 1H-/2H-Indazole as Bioactive Privileged Scaffolds: Synthetic Strategies and Pharmaceutical Applications.","authors":"Richa Sharma, Amol T Mahajan, Vidit Shrivastava, Idrisi Fatima Banu Zakir Husain, Sandeep Chaudhary","doi":"10.2174/0115701638437454260321220944","DOIUrl":"https://doi.org/10.2174/0115701638437454260321220944","url":null,"abstract":"<p><p>Bioheterocycles represent a pharmaceutically privileged class of compounds due to their broad spectrum of medicinal applications. Among them, indazole (benzopyrazole or isoindazole) is a fused nitrogen-containing heterocycle with significant importance in pharmaceuticals, bioactive molecules, and natural products. The indazole system exists in tautomeric forms 1H-, 2H-, and 3H-indazole, with 1H-indazole being the most prevalent and stable. Conventionally, indazoles are synthesized via the reaction of aromatic aldehydes or ketones with substituted phenylhydrazines. Naturally occurring alkaloids such as nigellicine, nigeglanine, and nigellidine feature the indazole nucleus as their core structure. Owing to its versatile biological profile, the indazole scaffold exhibits diverse pharmacological activities, including antibacterial, anticancer, anti-inflammatory, and neuroprotective effects. Moreover, it constitutes the structural backbone of several clinically relevant drugs such as Asitinib, Bozitinib, and Entrectinib. These attributes underscore the prominence of indazole as a key framework in contemporary medicinal chemistry and drug discovery. Overall, the article aims to provide a comprehensive understanding of how innovative C-H functionalization strategies have accelerated the design and development of bioactive indazole derivatives for pharmaceutical applications.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-05-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147984846","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Uncovering the Anti-Pleurisy Mechanism of Shizao Decoction via Network Pharmacology and Molecular Docking.","authors":"Shaomin Huang, Shiyuan Zeng, Shanshan Du, Meiling Chen, Guofang Zeng, Haixiao Lu","doi":"10.2174/0115701638464079260424071717","DOIUrl":"https://doi.org/10.2174/0115701638464079260424071717","url":null,"abstract":"&lt;p&gt;&lt;strong&gt;Objective: &lt;/strong&gt;Shizao Decoction has been clinically applied for the treatment of pleurisy, but the specific biological mechanism underlying its therapeutic effects remains unclear. This study aims to explore the potential therapeutic targets and underlying mechanisms of Shizao Decoction in treating pleurisy by combining network pharmacology and molecular docking approaches.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Methods: &lt;/strong&gt;The main active components of Shizao Decoction and their corresponding target proteins were screened using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) and the SwissTargetPrediction databases, while pleurisy-associated targets were retrieved from the GeneCards database. Overlapping common targets were identified and visualized with a Venn diagram. STRING platform was employed to construct the Protein-Protein Interaction (PPI) network, DAVID database for Gene Ontology (GO) functional and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses, and Cytoscape software to build the \"drug-component-target-disease\" regulatory network. Molecular docking was performed using AutoDock software, and docking results were visualized using PyMol software.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Results: &lt;/strong&gt;The core active components of Shizao Decoction include protoporphyrin, isoflavone, genkwanin, hydroxygenkwanin, and luteolin. The key targets are IL-6, TNF, IL-1B, STAT3, IL-2, and NFKB1. GO functional enrichment analysis showed that these targets are mainly involved in immune response, positive regulation of IL-6 production, and negative regulation of apoptosis. KEGG pathways enrichment analysis indicated that the relevant pathways mainly included T cell receptor, Epstein-Barr virus infection, and C-type lectin receptor signaling pathway.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Discussion: &lt;/strong&gt;This study revealed that Shizao Decoction exerts therapeutic effects on pleurisy through a multi-component, multi-target, and multi-pathway mode of action, which is consistent with the holistic therapeutic concept of Traditional Chinese Medicine (TCM). The identified core components and key targets are closely related to inflammatory responses and immune regulation, which not only provide a solid theoretical basis for the clinical application of Shizao Decoction but also offer new insights into the TCM treatment of pleurisy. Furthermore, the enriched KEGG pathways highlight the potential anti-inflammatory and antiviral mechanisms of Shizao Decoction, which may provide a new direction for the development of novel therapeutic strategies for pleurisy.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Conclusion: &lt;/strong&gt;The active ingredients of Shizao Decoction exert therapeutic effects on pleurisy by modulating T cell receptor and C-type lectin receptor signaling pathways through key targets (IL-6, TNF, IL-1β, STAT3, IL-2, NFKB1). These ingredients directly regulate pleurisy-specific pathophysiological processes, including pleural capillary permeability, inflam","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147984786","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Evolving Global Regulatory Frameworks for Drug Discovery and Development: Harmonization and Future Directions.","authors":"Virendra S Gomase, Rupali Sharma, Suchita P Dhamane, Satish Sardana","doi":"10.2174/0115701638454482260406040031","DOIUrl":"https://doi.org/10.2174/0115701638454482260406040031","url":null,"abstract":"<p><strong>Introduction: </strong>Global regulatory frameworks for drug discovery and development have gradually evolved from fragmented, region-specific approaches to increasingly harmo-nized systems designed to reduce complexity and accelerate quality access of medicines to patients. The recent reforms emphasize convergence through guidelines such as the ICH and the adoption of digital standards like CTD and eCTD, notwithstanding regional dissonance. Indeed, over 70 regulatory authorities have adopted ICH guidelines over the past 10 years, and over 90% of new drug applications in the major markets use CTD/eCTD formats, indicating a significant convergence.</p><p><strong>Method: </strong>A systematic literature review was conducted to examine changes in regulations, harmonization strategies undertaken by various regions worldwide, and lifecycle management strategies across regions. Emphasis was given to qualitative study and case study analysis to create awareness regarding various trends of accelerated review pathways. The analysis of comparative metrics regarding surveillance capacity was undertaken alongside an accelerated pathway.</p><p><strong>Results: </strong>The study reported that global initiatives, i.e., ICH initiatives, as well as other regional harmonization initiatives like AMRH/ASEAN, resulted in a reduction of 25-40% of redundant conduct in clinical trials and a more effective use of resources. However, regions like Asia Pacific and China have seen a 20-30% reduction in approvals of oncology lifecycle models, as well as a 50-60% increase in approval of oncology trials, still lagging behindin filing, en-forcement, and technological adaptation.</p><p><strong>Discussion: </strong>Harmonization limits data redundancy; however, regulatory divergence remains a challenge, especially in areas of post-market surveillance, AI/ML regulation, and frame-works on risk-benefit evaluation. Further, as reiterated, a more efficient drug development process is a by-product of harmonization efforts; however, as there is great variation in regu-latory philosophy, as illustrated through a comparative overview of FDA/GCC regulations, robust risk-based frameworks are pivotal.</p><p><strong>Conclusion: </strong>The future of global drug regulation lies in harmonizing innovative accelerated pathways with enhanced post-market surveillance. Policy reforms must continue to advance international convergence, addressing the unique challenges posed by local regulatory envi-ronments to support a more efficient and safe global drug development environment.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147984773","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Role of Endogenous and Plant-based Exogenous Antioxidants in 5- Fluorouracil-mediated Synergistic Anticancer Activity in Breast Adenocarcinoma: Targeting NRF-2-mediated Antioxidant Pathways.","authors":"Rajat Das, Himangshu Sekhar Maji, Pallab Kanti Haldar, Asis Bala","doi":"10.2174/0115701638471745260406104423","DOIUrl":"https://doi.org/10.2174/0115701638471745260406104423","url":null,"abstract":"<p><strong>Background: </strong>5-Fluorouracil (5-FU) is a chemotherapeutic drug commonly used to treat breast adenocarcinoma (BAC). Two primary challenges in treating BAC include drug resistance and weakening of the immune system. The flavonoid known as cat's whiskers flavonoid, derived from Cleome gynandra L. (Capparidaceae), has demonstrated antioxidant properties, helping to reduce harmful free radicals in specific inflammatory cells.</p><p><strong>Methods: </strong>This study investigated the combined anticancer effects of cat's whisker flavonoid (CWF), or 5-hydroxy-3,7,4'-trimethoxyflavone (5HTMP), with 5-FU(5-FU) and glutathione or L-arginine. The research involved in vitro testing on MCF-7 cells and in vivo testing on Swiss albino mice with breast adenocarcinoma (Ehrlich ascites carcinoma (EAC) or BAC) over 9 days. Mice were weighed daily; half were euthanized to assess tumor characteristics, including size, weight, cell count, and viability via MTT assay, while the others were monitored for lifespan changes.</p><p><strong>Results: </strong>CWF, or 5HTMF, demonstrated a strong synergistic effect with 5-FU on MCF-7 cells, with an IC50 value of 21.22 μM/mL. In vivo results showed that the group treated with both 5-FU and CWF had reduced tumor weight, volume, and cell viability, as well as a longer lifespan, compared with the other treatment groups and the 5-FU-alone group. This study confirms the synergistic anticancer activity of CWF when combined with 5-FU.</p><p><strong>Discussion: </strong>Cat's whisker flavonoid significantly enhances the anticancer efficacy of 5-FU, reducing tumor growth and improving survival outcomes. This effect may result from its ability to modulate oxidative stress and suppress resistance mechanisms in breast adenocarcinoma cells. It shows promise as a natural adjuvant to improve the efficacy of 5-FU-based chemotherapy.</p><p><strong>Conclusion: </strong>Therefore, the results suggest a potential new treatment strategy combining antioxidants with 5-FU and warrant further investigation in clinically guided regulatory trials.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147984810","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Pharmaceutical Industry 5.0: The Role of Drug Discovery Technology, Innovation, and Digital Transformation in Economic Resilience.","authors":"Virendra S Gomase, Rupali Sharma, Suchita P Dhamane, Nisha S Tatkar","doi":"10.2174/0115701638432521260101061854","DOIUrl":"https://doi.org/10.2174/0115701638432521260101061854","url":null,"abstract":"<p><strong>Introduction: </strong>The pharmaceutical industry is undergoing a profound transformation driven by digitalization, innovation, and cutting-edge emerging technologies. The concept of Pharmaceutical Industry 5.0 has emerged as the sector adjusts to a rapidly shifting global environment, with cutting-edge technologies like artificial intelligence (AI), blockchain, automation, and personalized medicine playing a crucial role in determining the future. This new phase integrates advanced technologies such as artificial intelligence (AI), blockchain, automation, and personalized medicine, which are shaping the future of drug discovery, manufacturing, and distribution. The objective of this study is to explore how the transition to Industry 5.0 is enhancing the pharmaceutical industry's resilience, innovation, and sustainability in the face of global crises such as pandemics, regulatory changes, and market disruptions.</p><p><strong>Method: </strong>This research study investigates the integration of emerging technologies in pharmaceutical processes and analyzes their impact on operational efficiency, supply chain optimization, personalized medicine, and global access to treatment. The concept of economic resiliency is used as a central framework to evaluate the industry's adaptive capacity.</p><p><strong>Discussion: </strong>Emerging technologies are enabling faster and more efficient research and development (R&D), paving the way for personalized and targeted therapies. Pharmaceutical companies are leveraging innovation to explore new business models focused on sustainability, predictive analytics, and big data. Additionally, digital transformation is reshaping healthcare delivery through telemedicine, AI diagnostics, and remote monitoring, thereby expanding global access to medical treatments.</p><p><strong>Conclusion: </strong>The adoption of Industry 5.0 principles allows pharmaceutical companies to strengthen economic resilience, drive innovation, and achieve sustainable growth. By embracing digital tools and fostering collaboration, the industry can enhance patient outcomes and maintain long-term viability in an increasingly complex and uncertain global economy.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147977991","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}