Archiv der Pharmazie最新文献

{"title":"Assessment of the Phenolics Content in Epilobium angustifolium and Epilobium hirsutum Extracts and Their Pharmacological Activity","authors":"Kateryna Uminska,&nbsp;Michal Korinek,&nbsp;Liudas Ivanauskas,&nbsp;Mohamed El-Shazly,&nbsp;Victoriya Georgiyants,&nbsp;Yu-Li Chen,&nbsp;Monu Kumar Shukla,&nbsp;Sedin Renadi,&nbsp;Tsong-Long Hwang,&nbsp;Fang-Rong Chang,&nbsp;Olha Mykhailenko","doi":"10.1002/ardp.202400765","DOIUrl":"https://doi.org/10.1002/ardp.202400765","url":null,"abstract":"<div>\u0000 \u0000 <p>The recent outbreak of Omicron strains of coronavirus disease urged the search for novel treatments from natural products such as <i>Epilobium</i> species. The present work reports a comparative HPLC-DAD study of the polyphenolic composition of the crude extracts of <i>Epilobium angustifolium</i> and <i>Epilobium hirsutum</i>. Oenothein B, gallic acid, hyperoside, and isoquercitin were the dominant phenolic compounds. <i>E. hirsutum</i> methanol extract showed a high radical scavenging activity as demonstrated by the HPLC-ABTS assay due to its richness in phenolic compounds. The polysaccharide-rich extracts and water extracts of <i>E. hirsutum</i> showed potent anti-coronavirus SARS-CoV-2 activity against the Omicron strain at 10 μg/mL with inhibition percentages of 38.4% and 46.1%, respectively. In contrast, the methanol (50% v/v) extract was inactive. Rutin and chlorogenic acid docked well into the binding pocket of the coronavirus spike protein. Emerging evidence suggests that suppressing excessive neutrophilic inflammation during the late stage of coronavirus infection benefits patients’ survival. The methanol extracts of both plants completely inhibited fMLF/CB-induced elastase release in human neutrophils at 10 μg/mL (IC₅₀ 2.44 μg/mL), while the water extract showed an IC₅₀ of 5.67 μg/mL. While several compounds docked well into the spike protein, the major and marker compound oenothein B showed promising in vitro anti-coronavirus activity with an IC₅₀ of 6.08 µM in hACE2-overexpressing HEK293 cells, mimicking the entry of wild-type SARS-CoV-2 into human host cells. The results indicated that <i>E. hirsutum</i> might be helpful in the treatment of coronavirus infections and related inflammatory syndromes.</p></div>","PeriodicalId":128,"journal":{"name":"Archiv der Pharmazie","volume":"358 5","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143944719","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis, In Vitro Evaluation, and Molecular Docking Studies of Novel 3,5-Diphenyl-1H-1,2,4-Triazole Derivatives as Potential hEGFR Inhibitors","authors":"Yakup Kolcuoglu,&nbsp;Olcay Bekircan,&nbsp;Narin Ustalar,&nbsp;Aslı Türe,&nbsp;Atilla Akdemir,&nbsp;Senay Hamarat Sanlier","doi":"10.1002/ardp.70007","DOIUrl":"https://doi.org/10.1002/ardp.70007","url":null,"abstract":"<p>EGFR, an important target in cancer chemotherapy, is an important component of the signaling system that regulates important cellular processes such as growth, differentiation, metabolism, and apoptosis in response to both internal and external stimuli. Based on this approach, comprehensive modeling studies targeting the EGFR protein were performed, and synthesized molecules were proposed. For this purpose, the synthesis of new 3,5-diphenyl-1<i>H</i>-1,2,4-triazole derivatives containing semicarbazide, thiosemicarbazide, 1,2,4-triazole-3-thione, and 1,2,4-triazole-3-one units was carried out. Among these compounds, <b>6a–6i</b> presented in the present study exhibited EGFR inhibition in the nanomolar range. In addition, molecules <b>5e</b> and <b>6e</b> showed significant IC₅₀ values. Compound <b>6e</b> showed the closest IC₅₀ value to gefitinib, a well-known EGFR inhibitor, with its noncompetitive inhibition mode. The <i>K</i>_i value of compound <b>6e</b> was determined as 0.174 µM.</p>","PeriodicalId":128,"journal":{"name":"Archiv der Pharmazie","volume":"358 5","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143944718","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Alkyl Tail Variation on Chalcone-Based Quaternary Pyridinium Salts as Rule-of-Thumb for Antimicrobial Activity","authors":"Francesca Seghetti,&nbsp;Riccardo Ocello,&nbsp;Alessandra Bisi,&nbsp;Matteo Masetti,&nbsp;Silvia Gobbi,&nbsp;Federico Falchi,&nbsp;Giovanna Angela Gentilomi,&nbsp;Francesca Bonvicini,&nbsp;Federica Belluti","doi":"10.1002/ardp.70003","DOIUrl":"https://doi.org/10.1002/ardp.70003","url":null,"abstract":"<p>Aiming at developing a new class of quaternary pyridinium salts, the lead compound <b>1</b>, characterized by a pyridine-3-yl chalcone framework, was rationally modified by inserting alkyl functions varying from 6 to 18 carbon units. Among the set, some valuable lead compounds were identified. Derivatives <b>4</b>–<b>6</b> were primarily active against <i>Staphylococcus aureus</i> and <i>Candida albicans</i>, respectively (MIC = 1.56 and 3.125 μM). In comparison, analogs <b>4</b> and <b>5</b> showed significant activities against <i>Escherichia coli</i> (MIC = 6.25 μM). Interestingly, the antimicrobial property of compounds <b>4</b>–<b>6</b>, as well as their antibiofilm activity, occurred at lower concentrations than their cyto- and erythrocyte toxicities, thus ensuring a favorable safety profile. Structure–activity relationship analysis highlighted the critical role of the alkyl tail length in the antimicrobial activity, and optimal results were observed for moieties ranging from 10 to 14 carbon units. Molecular dynamics studies performed on <b>2</b> and <b>5</b> by modeling them on Gram-positive and Gram-negative membranes showed that the derivatives, upon diffusing across periodic boundary conditions, were able to intercalate into the microbial membranes. The difference in diffusion rates provides useful information to support the diverse antimicrobial potencies of the newly designed quaternary pyridinium salt.</p>","PeriodicalId":128,"journal":{"name":"Archiv der Pharmazie","volume":"358 5","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ardp.70003","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143939114","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structure and Dynamics of the ABL1 Tyrosine Kinase and Its Important Role in Chronic Myeloid Leukemia","authors":"Ayca Irgit,&nbsp;Reyhan Kamıs,&nbsp;Belgin Sever,&nbsp;Amaç Fatih Tuyun,&nbsp;Masami Otsuka,&nbsp;Mikako Fujita,&nbsp;Hasan Demirci,&nbsp;Halilibrahim Ciftci","doi":"10.1002/ardp.70005","DOIUrl":"https://doi.org/10.1002/ardp.70005","url":null,"abstract":"<p>Abelson (ABL1) tyrosine kinase is an essential component of non-receptor tyrosine kinases and is associated with numerous cellular processes, including differentiation and proliferation. The structural features of ABL1 include a distinct N-terminal cap region, a C-terminal tail, a bilobed kinase, SH2, and SH3 domains. These domains enable its engagement in several signaling cascades and dynamic control. The pathophysiology of chronic myeloid leukemia (CML) is mainly driven by the BCR-ABL1 oncoprotein, arising from dysregulation of ABL1 kinase, namely through its fusion to the breakpoint cluster region (BCR) gene. ABL1 is a crucial target in the treatment of CML as the BCR-ABL1 fusion causes uncontrolled cellular proliferation and resistance to apoptosis. Tyrosine kinase inhibitors (TKIs) targeting the ABL1 tyrosine kinase are playing a critical role in the treatment of CML through the inhibition of persistently activated signaling pathways mediated by the BCR-ABL1 fusion protein. The article examines the structural characteristics of ABL1, how they relate to CML, and the interactions between ABL1 and the current FDA-approved TKIs, emphasizing the kinase's critical function in carcinogenesis and its possible target status for tyrosine kinase inhibitors.</p>","PeriodicalId":128,"journal":{"name":"Archiv der Pharmazie","volume":"358 5","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ardp.70005","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143930424","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Issue Information: Arch Pharm (5/2025)","authors":"","doi":"10.1002/ardp.70012","DOIUrl":"https://doi.org/10.1002/ardp.70012","url":null,"abstract":"","PeriodicalId":128,"journal":{"name":"Archiv der Pharmazie","volume":"358 5","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/ardp.70012","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143925809","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design, Synthesis, Biological Evaluation, and In Silico Study of Aspirin–Sulfonamide Hybrids as Potential Anticancer Agents","authors":"Xusheng Duan,&nbsp;Xueqin Ma,&nbsp;Mengxian Chen,&nbsp;Tenghan Zhang,&nbsp;Xuanrong Sun,&nbsp;Mengxue Wei,&nbsp;Xiaoze Bao","doi":"10.1002/ardp.70001","DOIUrl":"https://doi.org/10.1002/ardp.70001","url":null,"abstract":"<div>\u0000 \u0000 <p>Aspirin's potential as a cancer treatment had garnered significant attention over the past 50 years. Presently, researchers are focused on structurally modifying aspirin to enhance its anticancer efficacy. In this study, aspirin was employed as the parent compound, and N-acylation of aspirin chloride with piperazine-sulfonamide hybrids was utilized to efficiently synthesize promising anticancer agents <b>3</b>. Biological assays and structure–activity relationship analysis demonstrated that the incorporation of thiophene groups significantly enhanced the anticancer activity of aspirin. Among all eight human cancer cells treated, hybrid <b>3k</b>, containing a bromothiophene structure, was the most effective against human non-small-cell lung cancer (A549) cells (IC₅₀ = 36 μM), exhibiting over 33-fold greater toxicity than parent aspirin (IC₅₀ &gt; 1200 μM) and a higher selectivity index (SI = 6). Mechanistic studies revealed that hybrid <b>3k</b> induced apoptosis in A549 cells and arrested the cell cycle at the G0/G1 phase. Molecular docking analysis and COX-2 inhibition assay indicated that hybrid <b>3k</b> likely exerts its anticancer effects through the inhibition of COX-2 protein. These findings underscore the potential of hybrid <b>3k</b> as a novel therapeutic agent for non-small-cell lung cancer and its contribution to expanding the antitumor scope of aspirin.</p></div>","PeriodicalId":128,"journal":{"name":"Archiv der Pharmazie","volume":"358 5","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143926045","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural Optimization and MD Simulation Study of Benzimidazole Derivatives as Potent Mutant FLT3 Kinase Inhibitors Targeting AML","authors":"Nada Alaa El-Deen,&nbsp;RosaAnna DeFilippis,&nbsp;Amal Kamal Abdel-Aziz,&nbsp;Sandra N. Milik,&nbsp;Suhana Patel,&nbsp;Muhammad I. Ismail,&nbsp;Omar Khaled,&nbsp;Tarek Erfan Ahmed,&nbsp;Ayatullah Gamal Abdelfattah,&nbsp;Eslam M. H. Ali,&nbsp;Maiy Y. Gaballah,&nbsp;Martin J. McPhillie,&nbsp;Khaled A. M. Abouzid,&nbsp;Rabah A. T. Serya,&nbsp;Maged Henary,&nbsp;Saverio Minucci,&nbsp;Neil P. Shah,&nbsp;Eman M. E. Dokla","doi":"10.1002/ardp.70002","DOIUrl":"https://doi.org/10.1002/ardp.70002","url":null,"abstract":"<div>\u0000 \u0000 <p>Acute myeloid leukemia (AML) is an aggressive hematological malignancy with poor survival rates in adults, posing a significant economic burden. FMS-like tyrosine kinase 3 (FLT3) mutations are linked to poor prognosis in AML and resistance to clinically approved FLT3 inhibitors. Previously, we reported a novel benzimidazole-based FLT3 inhibitor, 4ACP, with nanomolar activities against FLT3-ITD and FLT3-TKD mutants, showing selective cytotoxicity against FLT3-ITD⁺ AML cell lines. In this study, we synthesized 31 derivatives by modifying the 4-acetamidophenyl group and varying substituents at <i>N</i>1-phenyl and C2 positions. We identified compound <b>21l</b> (3-acetamidophenyl) as the most potent derivative (FLT3-TKD(D835Y) IC₅₀ = 1.47 nM). Linking <b>21l</b> to a solvent-accessible group yielded compound <b>22b</b>, which exhibited a sub-nanomolar activity against FLT-TKD(D835Y) mutant with an IC₅₀ value of 0.48 nM. Compound <b>22b</b> showed preferential antiproliferative activities against MOLM-14, MV4-11, MOLM-14-D835Y, and MOLM-14-F691L AML cell lines with IC₅₀ values of 16.1, 10.5, 26.5, and 160.3 nM, respectively. <b>22b</b> induced dose-dependent inhibition of FLT3, ERK, STAT5, and S6 phosphorylation, G0/G1 cell-cycle arrest, and apoptotic cell death at low nanomolar concentrations in MOLM-14 and MOLM-14-D835Y cells. It was more selective for FLT3-dependent cell lines, showing about 80-fold selectivity toward FLT3-TKD(D835Y) over KIT, indicating relative safety and lower myelosuppression potential. The molecular dynamics study of 4ACP and <b>22b</b> was conducted to explain the significant changes in activity resulting from subtle structural alterations. Altogether, these findings establish <b>22b</b> as a potent mutant FLT3 inhibitor, warranting further investigation and optimization to target resistant AML.</p>\u0000 </div>","PeriodicalId":128,"journal":{"name":"Archiv der Pharmazie","volume":"358 5","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143930423","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Triterpenoids From Ilex rotunda and Their Anti-Inflammatory Effects by Interfering With NF-κB and MAPK Activation","authors":"Duc Dat Le,&nbsp;Vinhquang Truong,&nbsp;Thinhulinh Dang,&nbsp;Soojung Yu,&nbsp;Thientam Dinh,&nbsp;Nguyen Phuong Thao,&nbsp;Mina Lee","doi":"10.1002/ardp.202500025","DOIUrl":"https://doi.org/10.1002/ardp.202500025","url":null,"abstract":"<div>\u0000 \u0000 <p><i>Ilex rotunda</i> is traditionally employed to treat inflammatory diseases. A feature-based molecular network guided the phytochemical investigation of this plant, which resulted in the isolation and identification of two new and nine known compounds. Through the analysis of their mass and spectroscopic data and comparison with those published in the literature, their structures were determined. The isolated compounds were discovered to have anti-inflammatory properties that suppressed the synthesis of nitric oxide mediators and inflammatory cytokines (tumor necrosis factor-α [TNF-α] production and interleukin-6 [IL-6]). Compound <b>1</b> and the new compounds <b>3</b> and <b>6</b> downregulated the expression levels of the COX-2 and iNOS enzymatic proteins. Furthermore, compounds <b>3</b> and <b>6</b> were mechanically found to downregulate LPS-stimulated inflammation via NF-κB and MAPK inactivation by inhibiting the nuclear translocation of p65 and preventing the phosphorylation of Iκαβ and ERK kinases. The molecular docking data on binding affinity and interactions with active compounds docked into the targeted proteins supported the above anti-inflammatory effects. We identified the active constituents of <i>I</i>. <i>rotunda</i> that possess anti-inflammatory properties, aiming to develop strategies for treating inflammation.</p></div>","PeriodicalId":128,"journal":{"name":"Archiv der Pharmazie","volume":"358 5","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143925722","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthetic Strategies and SAR Studies of Triazine-Based Antiepileptic Agents: A Bench to Bedside Approach","authors":"Nisha Vats,&nbsp;Asiya Parveen,&nbsp;Mohd Shafeeque,&nbsp;Akram Choudhary,&nbsp;Shaikh Yahya,&nbsp;M. Shahar Yar","doi":"10.1002/ardp.202500087","DOIUrl":"https://doi.org/10.1002/ardp.202500087","url":null,"abstract":"<div>\u0000 \u0000 <p>Due to their strong biological activity, heterocyclic compounds containing triazine scaffolds are now of interest to a large number of organic chemists. It has been discovered that the triazine ring possesses antiepileptic properties. The article's goal is to highlight these particular ring diversities of study using triazine moieties that include medications and patent numbers. A variety of antiepileptic medications are being developed and will soon be available in the market to treat aberrant neuronal excitability. Among the key objectives to deal with a number of disorders affecting the central nervous system, such as epilepsy, chronic pain, mental illnesses, and spasticity, are voltage-gated sodium channel blockers. By blocking intricate voltage and frequency-dependent ionic currents via sodium channels, they prevent seizures. Although the sodium channel has been arguably the most extensively researched target for seizure control or treatment over the last 10 years, no ground-breaking findings have been made as of yet. Despite the fact that several medications are licensed to treat epilepsy, they are linked to a range of acute and long-term adverse effects. To treat epileptic seizures, multiple teams of researchers have been working nonstop to develop improved therapeutic medications for this well-liked target. The evolution of authorized sodium channel blockers as anticonvulsant medications is briefly noted in the study. To reduce the toxicity, medicinal chemists have attempted to create several stronger anticonvulsant medications, which are covered below. Their potential mechanism and structure–activity relationship (SAR) is highlighted.</p></div>","PeriodicalId":128,"journal":{"name":"Archiv der Pharmazie","volume":"358 5","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143925724","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Comprehensive Analysis of the Multi-Target Binding Mechanism of Doxorubicin: Integrating Protein Microarray Screening, Molecular Docking, and Molecular Dynamics Simulation","authors":"Wentao Wang,&nbsp;Yanfei Cai,&nbsp;Yun Chen,&nbsp;Jingyu Zhu,&nbsp;Jian Jin","doi":"10.1002/ardp.70006","DOIUrl":"https://doi.org/10.1002/ardp.70006","url":null,"abstract":"<div>\u0000 \u0000 <p>Understanding the mechanisms through which anticancer drugs interact with multiple protein targets is crucial for optimizing drug design and enhancing the efficacy of chemotherapy. This study focuses on doxorubicin, a broad-spectrum anticancer drug recognized for its multi-target mechanisms of action. We initially screened 363 doxorubicin-binding proteins using protein microarrays; of these, 166 proteins with known PDB (Protein Data Bank) structures were selected for molecular docking to evaluate their binding energies. The binding energy distribution and residue enrichment analyses revealed that doxorubicin preferentially binds to specific residues at its binding sites, including serine, glycine, arginine, glutamic acid, lysine, aspartic acid, and leucine. These residues stabilize doxorubicin binding through hydrogen bonds, hydrophobic interactions, and electrostatic interactions. In addition, RUVBL1 (RuvB-like AAA ATPase 1) exhibited the highest integrated score from the protein microarray and molecular docking analyses. Furthermore, PPI (protein–protein interaction) network analysis and centrality calculations identified key proteins with potential regulatory roles, with MAPK1 (mitogen-activated protein kinase 1) exhibiting the highest betweenness centrality in the PPI network. Finally, molecular dynamics simulations of the RUVBL1- and MAPK1-doxorubicin complexes were conducted to evaluate the binding mechanisms. The simulations revealed key binding residues, including Ile56, Lys59, Leu87, Pro296, and Ile326 in RUVBL1 and Asp88, Ile89, Pro93, Phe354, and Ala92 in MAPK1 that mediate stable interactions with doxorubicin. This study presents a comprehensive analytical approach for investigating the interactions between doxorubicin and multiple protein targets, providing a reference framework for understanding the molecular mechanisms of anticancer drugs and for future analyses of similar data sets.</p></div>","PeriodicalId":128,"journal":{"name":"Archiv der Pharmazie","volume":"358 5","pages":""},"PeriodicalIF":4.3,"publicationDate":"2025-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143925752","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}