Turkish journal of biology = Turk biyoloji dergisi最新文献

{"title":"Lactic acid bacteria alleviate neuronal excitotoxicity and extend <i>Caenorhabditis elegans</i> lifespan.","authors":"Bao LE, Thi Nhat Hong Nguyen, Seung-Hwan Yang","doi":"10.55730/1300-0152.2755","DOIUrl":"10.55730/1300-0152.2755","url":null,"abstract":"<p><strong>Aim: </strong>Neuronal cell death plays a critical role in the development of neurological disorders associated with aging. This study aimed to evaluate the beneficial effects of heat-ki lled lactic acid bacteria (hkLAB) on neuroblastoma cells and <i>Caenorhabditis elegans</i>.</p><p><strong>Materials and methods: </strong>We pretreated heat-killed <i>Lactobacillus fermentum</i> CNU384 (hkCNU384), <i>L</i>. <i>brevis</i> CNU386 (hkCNU386), <i>L</i>. <i>helveticus</i> CNU395 (hkCNU395), and <i>L</i>. <i>paracasei</i> CNU396 (hkCNU396) at a concentration of 10⁹ CFU/mL to investigate their neuroprotective effects on glutamate-induced SH-SY5Y cells and their impact on the lifespan of 6-hydroxydopamine (6-OHDA)-induced <i>C</i>. <i>elegans</i>.</p><p><strong>Results: </strong>Our findings indicate that hkCNU395 and hkCNU396 protected against glutamate-induced cell death via modulation of the Bax/Bcl-2 apoptosis regulator ratio and enhancement of endogenous antioxidant enzyme activity. Moreover, hkCNU396 significantly improves survival rates in <i>C</i>. <i>elegans</i> with neuron degeneration induced by 6-OHDA.</p><p><strong>Conclusion: </strong>These results highlight hkCNU396 as a promising paraprobiotic candidate for patients suffering from degenerative neurodegenerative diseases.</p>","PeriodicalId":94363,"journal":{"name":"Turkish journal of biology = Turk biyoloji dergisi","volume":"49 4","pages":"392-399"},"PeriodicalIF":0.9,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12410868/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145017046","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"miR-9-5p alleviates the development of abdominal aortic aneurysm by regulating the differentiation of CD4⁺IL-10⁺T cells via targeting the crosstalk between Nrf2 and NF-κB signaling pathways.","authors":"Hongfu Liu, Jinyi Zhang, Lubin Li, Benxiang Yu, Chunlei Zhang, Wenqiang Niu, Yawen Cheng, Hengyang Dong, Yukun Zhang, Xinlin Luo, Yanlian Xiong, Yueming Wang","doi":"10.55730/1300-0152.2754","DOIUrl":"10.55730/1300-0152.2754","url":null,"abstract":"<p><strong>Background: </strong>Abdominal aortic aneurysm (AAA), a gradual segmental dilatation of the abdominal aorta, is associated with a high mortality rate. The pathophysiological molecular mechanisms underlying AAA remain unclear. In recent years, changes in miRNA levels have been reported to be involved in the development and treatment of AAA. This study aimed to investigate the potential targets and underlying mechanisms of miR-9-5p in attenuating AAA progression by modulating the inflammatory response.</p><p><strong>Materials and methods: </strong>Biochemical kits were used to measure the levels of inflammatory factors, antioxidant enzyme activity, and serum oxidative stress in normal and AAA model mice. miR-9-5p overexpression was achieved by transfecting miR-9-5p mimics into CD4⁺ T cells and administering an miR-9-5p agomir to the mice. The effect of miR-9-5p overexpression was evaluated by detecting the expression level of miR-9-5p in CD4⁺ T cells through qRT-PCR. The NF-κB/Nrf2 pathway levels were assessed using immunofluorescence, western blotting, and quantitative PCR. miR-9-5p expression was modulated by transfecting either miR-9-5p mimics or inhibitors, and the impact on CD4⁺IL-10⁺ T-cell differentiation was analyzed using flow cytometry.</p><p><strong>Results: </strong>Compared with that in the control group, miR-9-5p expression in CD4⁺ T cells from the peripheral blood of AAA model mice was decreased by 28%. In vivo, miR-9-5p intervention reduced AAA formation in model mice and markedly decreased serum oxidative stress damage and inflammatory factor levels. Furthermore, miR-9-5p intervention significantly increased miR-9-5p levels in CD4⁺ T cells both in vitro and in vivo, increased the proportion of CD4⁺IL-10⁺ T cells, suppressed NF-κB expression, and upregulated Nrf2 and its downstream antioxidant genes. Conversely, these therapeutic effects were abolished when an miR-9-5p inhibitor was administered.</p><p><strong>Conclusions: </strong>By controlling the interaction between the Nrf2 and NF-κB signaling pathways, miR-9-5p mediates the differentiation of CD4⁺IL-10⁺ T cells and alleviates the development of AAA.</p>","PeriodicalId":94363,"journal":{"name":"Turkish journal of biology = Turk biyoloji dergisi","volume":"49 4","pages":"380-391"},"PeriodicalIF":0.9,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12410872/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145017067","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Thionine modulates tau phosphorylation in an Alzheimer's disease cell culture model.","authors":"Seda Önder, Kevser Biberoğlu, Özden Tacal","doi":"10.55730/1300-0152.2756","DOIUrl":"10.55730/1300-0152.2756","url":null,"abstract":"<p><strong>Background/aim: </strong>Tau protein, which is crucial for sustaining the cytoskeletal network by assisting microtubule construction, contributes significantly to the pathophysiology of Alzheimer's disease (AD). The hyperphosphorylation of tau causes it to detach from microtubules (MTs), leading to the formation of neurofibrillary tangles (NFTs) in neurons, which ultimately results in cell death. Thionine (TH), a cationic phenothiazine-structured compound, has been the topic of extensive research due to its interesting physicochemical properties. It is a common biological dye, especially useful in histology due to its strong affinity for biological membranes. Furthermore, TH serves as a photosensitizer in phototherapy. It has a phenothiazine pharmacophore, which makes it selective against microbial and tumor cells. Our prior studies demonstrated that TH inhibits human plasma butyrylcholinesterase (BChE) by acting as a nonlinear inhibitor and also affects amyloid precursor protein (APP) metabolism in PS70 cells. In the current research, we investigated whether TH modulates the phosphorylation of tau in N2a/APPSwe cells.</p><p><strong>Materials and methods: </strong>Using flow cytometry, we identified the dose range and treatment time of TH that did not affect the viability of N2a/APPSwe cells. The western blot method was used to investigate the effects of TH on total tau and four key tau phosphorylation sites.</p><p><strong>Results: </strong>The results indicated that TH reduces tau phosphorylation at residues Ser202/Thr205, Ser396, Ser396/Ser404, and Thr181, which contribute to NFT formation.</p><p><strong>Conclusion: </strong>When all these findings are evaluated together, TH may have a therapeutic potential against AD.</p>","PeriodicalId":94363,"journal":{"name":"Turkish journal of biology = Turk biyoloji dergisi","volume":"49 4","pages":"400-408"},"PeriodicalIF":0.9,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12410870/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145017078","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Expression of Concern: <i>Characterization of TFIIE-regulated genes by transcriptome analysis</i>.","authors":"","doi":"10.55730/1300-0152.2750","DOIUrl":"10.55730/1300-0152.2750","url":null,"abstract":"","PeriodicalId":94363,"journal":{"name":"Turkish journal of biology = Turk biyoloji dergisi","volume":"49 3","pages":"347"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12266344/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144661548","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Different hypoxic response of human <i>CAVII</i> and <i>Caenorhabditis elegans</i> homologous genes <i>CAH-3, CAH-4, CAH-5</i>.","authors":"Sümeyye Aydoğan Türkoğlu, Aysu Bozkurt, Fatma Poyrazli, Derya Okuyan","doi":"10.55730/1300-0152.2753","DOIUrl":"10.55730/1300-0152.2753","url":null,"abstract":"<p><strong>Background/aim: </strong>A number of carbonic anhydrase (CA) family proteins have been implicated in cancer. They contribute to the hypoxic microenvironment. CAVII is often downregulated in colorectal carcinoma and it has been associated with increased tumor size, node metastasis, and adverse clinical outcomes. In this study, we aimed to investigate the effect of hypoxia on CAVII protein in human colon cancer and prostate cancer cells. In addition, the regulation of <i>CAH</i> genes in <i>Caenorhabditis elegans</i> was examined. These are homologous to <i>CAVII</i> in humans.</p><p><strong>Materials and methods: </strong>CAVII expression was analyzed in different cell lines such as human colon cancer (SW480 and HT-29), human prostate cancer (PC3 and LNCaP), human hepatocellular carcinoma (Hep3B) and Human umbilical vein endothelial cells (HUVEC). HT-29 and LNCaP cell lines were subjected to a chemical hypoxia model with CoCl₂. Real-time PCR was used for <i>CAVII</i> mRNA analysis. Western blot and immunofluorescence (IF) staining were used to detect the CAVII protein. The response of <i>CAH</i> genes was also studied at the mRNA level in a chemical hypoxia model with sodium sulfite in <i>C</i>. <i>elegans</i>. <i>CAVII</i> and <i>CAVII</i>-like genes <i>CAH-3</i>, <i>CAH-4</i>, and <i>CAH-5</i> were analyzed bioinformatically.</p><p><strong>Results: </strong>We found that CAVII expression decreased under hypoxic conditions in HT-29, but conversely, increased in LNCaP cells at the mRNA and protein level. In the hypoxia model in <i>C</i>. <i>elegans</i>, <i>CAH</i> genes were downregulated. According to bioinformatics analyses, human <i>CAVII</i> was most similar to <i>CAH-3</i> (98%).</p><p><strong>Conclusion: </strong>The results emphasize the necessity of addressing hypoxic regulation in different cell and organism groups in cancer and healthy conditions for CA family members that change under physiological and pathophysiological conditions. Postgenomic studies are important to better understand the evolution of these ancient enzymes.</p>","PeriodicalId":94363,"journal":{"name":"Turkish journal of biology = Turk biyoloji dergisi","volume":"49 4","pages":"367-379"},"PeriodicalIF":0.9,"publicationDate":"2025-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12410871/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145017073","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"<i>Kabasura kudineer choornam</i>, a medicinal polyherbal formulation, modulates human macrophage polarization and phagocytic function.","authors":"Aslı Korkmaz, Duygu Ünüvar, Sinem Günalp, Derya Göksu Helvaci, Duygu Sağ","doi":"10.55730/1300-0152.2752","DOIUrl":"10.55730/1300-0152.2752","url":null,"abstract":"<p><strong>Background/aim: </strong><i>Kabasura kudineer choornam (KKC)</i> is a polyherbal formulation of 15 ingredients. It has antiinflammatory and antimicrobial properties and are effective in managing the symptoms of H1N1 swine flu and COVID-19. However, its mechanism of action is not fully understood. In this study, we examined the effect of <i>KKC</i> on the polarization and function of primary human macrophages.</p><p><strong>Materials and methods: </strong>Human monocyte-derived macrophages (M0 macrophages) pretreated with <i>KKC</i> extract were polarized into M1, M2a, or M2c subtypes. The expression of the M1/M2 polarization markers was analyzed using qPCR, flow cytometry, and ELISA, and the phagocytosis capacity of macrophages was analyzed using flow cytometry.</p><p><strong>Results: </strong>Our data show that the <i>KKC</i> treatment increased the expression of the M1 markers <i>IDO1</i>, <i>IL-1β</i>, <i>IL-12a</i> (p35), and <i>TNF</i> in both polarized and unpolarized macrophages at mRNA level. However, it decreased the secretion of IL-12 (p70) in M1 macrophages and increased the secretion of TNF in M0, M2a, and M2c macrophages. IL-10 secretion was increased in M0 and M2a macrophages, while it was decreased in M1 macrophages after the <i>KKC</i> treatment. Interestingly, all <i>KKC</i>-treated macrophage phenotypes displayed a downregulation in the expression of the M1/M2 surface markers CD64, CD206, CD209, and CD163, which also play a role in phagocytosis. In accordance with this result, the phagocytic capacity of both polarized and unpolarized macrophages was decreased after the <i>KKC</i> treatment.</p><p><strong>Conclusion: </strong><i>KKC</i> extract modulates macrophage inflammatory response and could be a potential supplement for the treatment of infectious and inflammatory diseases.</p>","PeriodicalId":94363,"journal":{"name":"Turkish journal of biology = Turk biyoloji dergisi","volume":"49 4","pages":"348-366"},"PeriodicalIF":0.9,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12410875/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145017092","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"<i>Chelidonium majus</i> L.-containing gel may improve diabetic wound healing by modulating MMP-2, MMP-9, and collagen levels.","authors":"Kaan Kaltalioğlu, Elif Naz Gürsoy, Kanuni Barbaros Balabanli, Zeki Aytaç, Şule Coşkun Cevher","doi":"10.55730/1300-0152.2757","DOIUrl":"10.55730/1300-0152.2757","url":null,"abstract":"<p><strong>Background/aim: </strong>Delayed wound healing in diabetic patients is a significant complication that reduces quality of life, prompting the continuous investigation of new therapeutic agents. This study designed to explore the dose-dependent effects of different parts of <i>Chelidonium majus</i> L. (CM), a medicinal plant traditionally used for skin disorders, on diabetic skin wounds.</p><p><strong>Materials and methods: </strong>In diabetic rats, full-thickness excisional wounds were formed. CM-containing gels (aerial parts at 3%, 6%, 9% and root at 0.5%, 1%, 1.5%) were developed and applied to the wounds. After the treatment period, the rats were sacrificed, and wound healing activity was assessed macroscopically, histopathologically, and biochemically.</p><p><strong>Results: </strong>The CM-containing gels (aerial parts or root) accelerated wound closure and increased collagen, glutathione (GSH), and ascorbic acid (AA) content. Additionally, these gels reduced oxidative stress markers, and interleukin-1β (IL-1β) and IL-13 levels, while modulating the activities of matrix metalloproteinase-2 (MMP-2) and MMP-9.</p><p><strong>Conclusion: </strong>CM accelerates the healing process by increasing antioxidant capacity and modulating MMP activity, and it may have dose-dependent effectiveness in diabetic wound management.</p>","PeriodicalId":94363,"journal":{"name":"Turkish journal of biology = Turk biyoloji dergisi","volume":"49 4","pages":"409-420"},"PeriodicalIF":0.9,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12410873/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145017028","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Proteomic profiling of <i>Escherichia coli</i> cytoplasmic proteins under sublethal boric acid stress.","authors":"Bekir Çöl, Begüm Hazar Çiftçi, Merve Sezer Kürkçü, Esra Dibek","doi":"10.55730/1300-0152.2745","DOIUrl":"10.55730/1300-0152.2745","url":null,"abstract":"<p><strong>Background/aim: </strong>Boron is an essential micronutrient for plants and certain bacteria, where it plays critical roles in cellular processes at low concentrations. However, elevated levels of boron-containing compounds, such as boric acid, exhibit antimicrobial toxicity. Although the physiological effects of boric acid on bacteria have been partially characterized, its proteome-wide impacts remain poorly elucidated. This study employs a 2D-PAGE-based proteomic approach to investigate how sublethal boric acid stress alters the cytoplasmic proteome of <i>Escherichia coli</i> BW25113.</p><p><strong>Materials and methods: </strong><i>E. coli</i> BW25113 cultures were grown to mid-log phase in tryptic soy broth (TSB) and exposed to 70 mM boric acid (a sublethal concentration) or left untreated as a control. Cytoplasmic protein extracts were subjected to 2D-PAGE analysis to identify differentially expressed proteins. Selected protein spots were excised, identified via MALDI-TOF mass spectrometry, and validated by RT-PCR to assess corresponding mRNA expression levels.</p><p><strong>Results: </strong>Proteomic analysis revealed 12 differentially regulated cytoplasmic proteins under boric acid stress. Upregulated proteins included SodA, KduD, KduI, DeoB, Icd, AceE, RpsM, TdcE, Tuf1, LexA, and LamB, while GatY was downregulated. Functional annotation linked these proteins to oxidative stress defense (SodA), carbohydrate metabolism (KduD, KduI, DeoB), energy production (Icd, AceE), translation (RpsM, Tuf1), and membrane integrity (LamB). RT-PCR validation confirmed transcriptional upregulation of <i>sodA</i>, <i>kduD</i>, and <i>kduI</i>, corroborating proteomic findings. These results suggest that boric acid disrupts metabolic homeostasis, induces oxidative stress, and modulates structural and translational processes in <i>E. coli</i>.</p><p><strong>Conclusion: </strong>This study provides the first proteomic evidence of <i>E. coli</i>'s cytoplasmic response to boric acid stress, highlighting its multifaceted effects on metabolic, oxidative, and translational pathways. The upregulation of KduI and KduD, enzymes involved in carbohydrate utilization, points to potential adaptive mechanisms for boron detoxification. Further investigation into these targets could elucidate molecular strategies for bacterial boron tolerance and inform the development of boron-based antimicrobials.</p>","PeriodicalId":94363,"journal":{"name":"Turkish journal of biology = Turk biyoloji dergisi","volume":"49 3","pages":"280-291"},"PeriodicalIF":0.0,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12266352/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144661562","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Insights into therapeutic discovery through the Kelch domain structure of Keap1 at ambient temperature.","authors":"Merve Yilmaz, Belgin Sever, Yiğit Kutlu, Mehmet Gül, Ceren Okuducu, Serra Tavli, Masami Otsuka, Mikako Fujita, Türkan Haliloğlu, Halilibrahim Çiftçi, Hasan Demirci","doi":"10.55730/1300-0152.2742","DOIUrl":"10.55730/1300-0152.2742","url":null,"abstract":"<p><strong>Background/aim: </strong>The Kelch-like-ECH associated protein 1 (Keap1) is an integral component of the E3-ubiquitin ligase complex, which binds to Nuclear factor erythroid 2-related factor 2 (Nrf2) and facilitates its degradation by the 26S proteasome. The Kelch domain of Keap1, composed of six repeated structural motifs, plays a key role in this interaction. This study aims to investigate the dimeric structure of the Keap1 Kelch domain at ambient temperature and to examine its implications for conformational dynamics, particularly in relation to the DMF and Nrf2 binding sites.</p><p><strong>Materials and methods: </strong>The dimeric crystal structure of the Keap1 Kelch domain was determined at 3.0 Å resolution using data collected at the Turkish Light Source 'Turkish DeLight.' To analyze structural dynamics, Gaussian Network Model (GNM) analysis was applied, and molecular docking studies were performed using the ambient temperature structure to evaluate the binding of compounds acting as inhibitors of the Keap1/Nrf2 complex.</p><p><strong>Results: </strong>The study reveals significant potential conformational changes in Keap1 residues, especially at the DMF and Nrf2 binding sites, driven by temperature-induced shifts. GNM analysis suggests that the allosteric behavior of DMF binding residues is fully realized in the ambient temperature structure. Molecular docking of various compounds, including CNN (a hybrid of L-carnosine and L-histidyl hydrazide), ZINC 12433145, and ZINC 105508677, demonstrated favorable binding interactions with key Keap1 residues, highlighting their potential as inhibitors.</p><p><strong>Conclusion: </strong>Our in silico and crystallo results suggest that CNN is a promising lead compound for Keap1 inhibition. Understanding the dimeric form of the Keap1 Kelch domain and its conformational changes at ambient temperature is crucial for elucidating the dynamics of the Keap1-Nrf2 interaction.</p>","PeriodicalId":94363,"journal":{"name":"Turkish journal of biology = Turk biyoloji dergisi","volume":"49 3","pages":"247-260"},"PeriodicalIF":0.0,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12266349/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144661550","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"FDA-approved drugs as potential covalent inhibitors of key SARS-CoV-2 proteins: an in silico approach.","authors":"Murat Serilmez, Anwar Abuelrub, Ismail Erol, Serdar Durdaği","doi":"10.55730/1300-0152.2741","DOIUrl":"10.55730/1300-0152.2741","url":null,"abstract":"<p><strong>Background/aim: </strong>The COVID-19 pandemic caused by SARS-CoV-2 necessitated rapid development of effective therapeutics, prompting this study to identify potential inhibitors targeting key viral and host proteins: RNA-dependent RNA polymerase (RdRp), main protease (Mpro), transmembrane serine protease 2 (TMPRSS2), and angiotensin-converting enzyme 2 (ACE2).</p><p><strong>Methods: </strong>We used covalent docking and molecular dynamics (MD) simulations to screen FDA-approved compounds against these targets using diverse covalent reaction mechanisms. Top-ranking compounds underwent further evaluation through MD simulations to assess binding stability and conformational dynamics.</p><p><strong>Results: </strong>Several promising drug repurposing candidates were identified: bremelanotide, lanreotide, histrelin, and leuprolide as potential RdRp inhibitors; azlocillin, cefiderocol, and sultamicillin for Mpro inhibition; tenapanor, isavuconazonium, and ivosidenib targeting TMPRSS2; and cefiderocol, cefoperazone, and ceftolozane as potential ACE2 inhibitors.</p><p><strong>Conclusion: </strong>This study provides valuable insights into repurposing existing drugs as potential COVID-19 therapeutics by targeting crucial viral proteins. However, further experimental validation and preclinical studies are necessary to confirm the efficacy and safety of these compounds before consideration for clinical application.</p>","PeriodicalId":94363,"journal":{"name":"Turkish journal of biology = Turk biyoloji dergisi","volume":"49 3","pages":"233-246"},"PeriodicalIF":0.0,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12266346/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144661549","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}