{"title":"Serum and Urinary Proteomic Signatures Revealing Redox and Metabolic Dysregulation in Acute Achilles Tendon Rupture.","authors":"Bayixiati Qianman, Tuomilisi Jiasharete, Aikeremu Wupuer, Aerziguli Tuerxun, Ayidaer Jialihasi, Abuduhilil Mamately, Naertai Yeerbo, Nuerai Shawutali, Ayinazi Badalihan, Amuding Aisaiding, Darebai Redati, Jianati Wuerliebieke, Adili Aizezi, Yemenlehan Bahesutihan, Bo Zhao, Nuermaimaiti Ainiwaer, Jiasharete Jielile","doi":"10.2174/0109298665374669250627205138","DOIUrl":"https://doi.org/10.2174/0109298665374669250627205138","url":null,"abstract":"<p><strong>Objectives: </strong>The etiology of acute Achilles tendon rupture (ATR) remains elusive. A comprehensive case-control study of the proteome profile was conducted to gain insights into the potential pathogenesis of acute ATR and identify novel biomarkers.</p><p><strong>Method: </strong>Serum and urine samples were collected from 15 acute ATR patients and 15 healthy individuals for proteome analysis. Protein levels were assessed using isobaric tags for relative and absolute quantitation (iTRAQ) for serum and label-free proteomic approaches for urine. Differential expression was considered significant at levels exceeding 2-fold (for urine) and 1.2-fold (for serum), with a p-value below 0.05.</p><p><strong>Results: </strong>In serum and urine samples, 44 and 198 proteins were identified, respectively, which exhibit significant differences between acute ATRs and normal Achilles tendons. Our bioinformatics analysis revealed the involvement of multiple biological processes and pathways in acute ATRs, including immune response, metabolism, and redox regulatory pathways. Several differentially expressed proteins were found to participate in various metabolic pathways, suggesting their potential pivotal roles in ATR pathogenesis. Furthermore, protein-protein interaction analysis of the differentially expressed proteins (P<0.05) highlighted abnormalities in major protein-protein interaction hubs, specifically pyruvate kinase (PKM), peroxiredoxin-1 (PRDX1), phosphoglycerate kinase 1 (PKG1), profilin-1, and apolipoprotein A-IV, observed in the serum and urine samples of acute ATR patients.</p><p><strong>Conclusion: </strong>Abnormal nitrogen, carbohydrate, glucose, and long-chain fatty acid metabolic proteins, as well as PKM, PRDX1, and PGK1 abnormalities, may be involved in the pathogenesis of acute ATR.</p>","PeriodicalId":20736,"journal":{"name":"Protein and Peptide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144609198","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Marzieh Rezaei, Amir Jalali, Dheyaa Hussein Sadah Al-Azzawi
{"title":"Engineered Bacteriophages: Advances in Phage Genome Redesign Strategies for Therapeutic and Environmental Applications.","authors":"Marzieh Rezaei, Amir Jalali, Dheyaa Hussein Sadah Al-Azzawi","doi":"10.2174/0109298665372719250616085616","DOIUrl":"https://doi.org/10.2174/0109298665372719250616085616","url":null,"abstract":"<p><p>Bacteriophages, or phages, have emerged as powerful platforms in synthetic biology, offering innovative solutions for therapeutic and environmental challenges through advanced genome redesign strategies. This review explores a wide range of phage engineering techniques, including CRISPR (clustered regularly-interspaced short palindromic repeats)-Cas systems, phage display, random and site-directed mutagenesis, retrons, and rebooting approaches, highlighting their potential to create phages with tailored functionalities. CRISPR-Cas systems enable precise genome editing, allowing the development of phages with expanded host ranges, biofilm degradation capabilities, and targeted antimicrobial activity. Phage display facilitates the presentation of peptides on phage surfaces, enabling applications in targeted drug delivery, tumor imaging, and bioremediation. Beyond these, techniques like retron-mediated recombination and homologous recombination offer additional avenues for precise phage genome modification. In the therapeutic realm, engineered phages show promise in combating drug-resistant infections, modulating the microbiome, and delivering targeted therapies for cancer and other diseases. Environmentally, phage-based strategies, such as the use of phage-displayed metal-binding peptides, provide innovative solutions for bioremediation and reducing exposure to toxic heavy metals. This review also addresses challenges, such as phage resistance, immune responses, and the limitations of current engineering methods, while exploring future directions, including the development of improved CRISPR systems, phage-based biosensors, and high-throughput screening platforms. By integrating cutting-edge genome redesign strategies with diverse applications, this review underscores the transformative potential of engineered bacteriophages in addressing global healthcare and environmental sustainability challenges.</p>","PeriodicalId":20736,"journal":{"name":"Protein and Peptide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144560878","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Recombinant Expression of L-methioninase from Brevibacterium linens and Evaluation of its Anticarcinogenic Properties against MiaPaCa-2 Cells.","authors":"Semih Latif İpek, Meryem Damla Özdemir Alkış, Ahmet Tülek, Dilek Göktürk","doi":"10.2174/0109298665383781250624054915","DOIUrl":"https://doi.org/10.2174/0109298665383781250624054915","url":null,"abstract":"<p><strong>Introduction: </strong>This study aimed to investigate the anti-carcinogenic effects of recombinant L- methioninase (rBlmet) on the pancreatic cancer cell line MiaPaCa-2.</p><p><strong>Methods: </strong>In this study, rBlmet was initially cloned, expressed, and purified. To increase enzyme activity, the His-tags on the enzyme were removed using thrombin. rBlmet was then applied to MiaPaCa- 2 cells, and the cell viability of MiaPaCa-2 cells was evaluated by neutral red assay after rBlmet treatment. The combined effect of etoposide with rBlmet against MiaPaCa-2 cells was also evaluated for 12 and 24 hours using a neutral red assay. Furthermore, cell morphology was evaluated by Giemsa and DAPI/F-actin staining methods. Survivin and caspase-3 gene expression levels were measured by RT-qPCR.</p><p><strong>Results and discussion: </strong>The specific activity of the enzyme increased after His-tag elimination to 5.62 μmol/mg per minute. rBlmet showed a significant cytotoxic effect on the MiaPaCa-2 cell line. The IC50 value (24 h) of rBlmet for MiaPaCa-2 cells was 3.02 U/mL. In addition, rBlmet increased the cytotoxic effect of etoposide on the MiaPaCa-2 cell line, while it showed less effect on HaCat, which is a normal human cell line. Furthermore, rBlmet increased caspase-3 expression and downregulated survivin gene expression in MiaPaCa-2 cell lines. It successfully inhibited the growth of Mia-PaCa-2 cells by exploiting exogenous methionine amino acid in the growth medium. This study revealed promising results. However, further studies are needed on additional pancreatic cancer cell lines and in vivomodels.</p><p><strong>Conclusion: </strong>Based on these findings, it can be concluded that rBlmet not only has great potential to treat pancreatic cancer in the future but can also be used as an adjuvant to enhance the effectiveness of chemotherapeutic agents like etoposide.</p>","PeriodicalId":20736,"journal":{"name":"Protein and Peptide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144560879","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ahmad Fazilat, Alireza Soleimani Mamalo, Salomeh Roshani, Somaieh Razmi, Mohammad Valilo
{"title":"The Interaction between miRNAs and 14-3-3ζ Protein in Different Diseases.","authors":"Ahmad Fazilat, Alireza Soleimani Mamalo, Salomeh Roshani, Somaieh Razmi, Mohammad Valilo","doi":"10.2174/0109298665377739250618153852","DOIUrl":"https://doi.org/10.2174/0109298665377739250618153852","url":null,"abstract":"<p><p>Members of the 14-3-3 protein family are involved in various cellular processes, including migration, angiogenesis, cell cycle, apoptosis, and signal transduction. Nevertheless, the 14-3-3 family possibly plays a fundamental role in the development of diseases and cancer by regulating various biological pathways. MicroRNAs (miRNAs) are mainly transcribed by RNA polymerase II (pol II), with only a few exceptions involving RNA polymerase III (pol III). They can control cell mechanisms through different pathways. miRNAs inhibit or destroy mRNAs by binding to them. They control intracellular mechanisms by binding to molecules such as the 14-3-3ζ protein. miRNAs play a role in regulating this protein, and by inducing or suppressing it, they contribute to either the development or the prevention of the diseases. Therefore, considering the importance of the 14-3-3ζ protein in different pathways within the body, we decided to investigate the relationship between miRNAs and 14-3-3ζ and clarify their interactions, in this review.</p>","PeriodicalId":20736,"journal":{"name":"Protein and Peptide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2025-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144560880","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Emre Uyar, Sibel Kokturk, Mohammed Omer Khalid Mohammed, Pınar Çobanturk, Nouralhuda A Z Abuqaoud, Furuzan Akar, Güner Ulak, Faruk Erden, Oğuz Mutlu
{"title":"Effect of Adipokinetic Hormone on Learning-Memory in a Scopolamine-Induced Alzheimer's Model in Mice.","authors":"Emre Uyar, Sibel Kokturk, Mohammed Omer Khalid Mohammed, Pınar Çobanturk, Nouralhuda A Z Abuqaoud, Furuzan Akar, Güner Ulak, Faruk Erden, Oğuz Mutlu","doi":"10.2174/0109298665380324250602054823","DOIUrl":"https://doi.org/10.2174/0109298665380324250602054823","url":null,"abstract":"<p><strong>Background: </strong>Neurosecretory cells of insects synthesize Adipokinetic Hormone (AKH). Previous studies indicated that AKH improves memory functions.</p><p><strong>Objective: </strong>This study aimed to explore the effects of AKH on learning and memory in an Alzheimer's disease model.</p><p><strong>Methods: </strong>Morris Water Maze (MWM), Passive Avoidance (PA), and Modified Elevated Plus Maze (mEPM) tests were conducted in BALB/c mice. Initially, each group consisted of 8 to 9 animals; in total, 120 animals were used in this study. The groups included control, Ani-AKH (1 and 2 mg/kg), Lia-AKH (1 and 2 mg/kg), Pht-HrTH (1 and 2 mg/kg), Scopolamine (1 mg/kg), and Scopolamine combinations. Hormones were given for 6 days in the MWM test to evaluate learning and memory before the second trial in the PA test for memory assessment and after the first trial in the mEPM test to examine consolidation.</p><p><strong>Results: </strong>In the MWM test, Ani-AKH and Pht-HrTH reduced escape latency compared to the scopolamine group (p<0.05). During the probe trial, Ani-AKH increased time in the escape platform quadrant (p<.0.5) and reversed scopolamine's effects (p<0.001). Lia-AKH and Pht-HrTh did not affect time in the quadrant but reversed scopolamine's effects (p<0.01). In the PA test, Ani- AKH reversed scopolamine's effects (p<.0.5), while Lia-AKH did so in the mEPM test (p<0.01). The control group showed strong muscarinic receptor staining, while the scopolamine group did not. Ani-AKH and Lia-AKH showed moderate to strong receptor staining, indicating partial restoration.</p><p><strong>Conclusion: </strong>Our study indicates that AKH may help reduce memory impairments, though the effects depend on the specific assessment methods used in the tests.</p>","PeriodicalId":20736,"journal":{"name":"Protein and Peptide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144529354","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Enhancing Tissue Factor Production: The Role of N-Glycosylation and ERAD Pathway Modulation.","authors":"Yi-Shi Liu, Yue Dou, Xiaoman Zhou, Zijie Li, Nakanishi Hideki","doi":"10.2174/0109298665364078250519065417","DOIUrl":"https://doi.org/10.2174/0109298665364078250519065417","url":null,"abstract":"<p><strong>Background: </strong>Tissue Factor (TF) is a crucial transmembrane glycoprotein that triggers blood coagulation upon vascular or tissue injury by binding to plasma factors VII and VIIa. In recent years, the demand for TF has rapidly increased due to its pivotal role in preoperative coagulation tests. However, large-scale production of TF remains challenging despite successful recombinant expression, as incorrect post-translational modifications adversely affect TF activity.</p><p><strong>Objective: </strong>This study aims to investigate the role of post-translational modifications, specifically N-glycosylation, in TF activity and stability. Additionally, it explores strategies to enhance TF production by reducing its degradation through genetic modulation.</p><p><strong>Methods: </strong>We compared TF activity derived from human cells and E. coli to assess the impact of post-translational modifications. Furthermore, we examined the effect of N-glycosylation on TF function. To address TF degradation, we knocked out the HRD1 gene, a key component of the endoplasmic- reticulum-associated degradation (ERAD) pathway, and evaluated its impact on TF stability and activity.</p><p><strong>Results: </strong>TF produced in human cells exhibited higher activity than TF expressed in E. coli, emphasizing the importance of post-translational modifications. Specifically, N-glycosylation was found to influence TF activity and stability significantly. Additionally, we observed that knocking out the HRD1 gene effectively reduced TF degradation without compromising its activity.</p><p><strong>Conclusion: </strong>Our findings underscore the crucial role of N-glycosylation in TF function and stability. Moreover, the modulation of the ERAD pathway through HRD1 knockout presents a promising approach for enhancing TF production. These insights could contribute to the large-scale manufacturing of functionally active TF for clinical and research applications.</p>","PeriodicalId":20736,"journal":{"name":"Protein and Peptide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144187769","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Molecular Cloning and Expression of Cryptocyanin Gene Isolated from an Indian Variety of Scylla olivacea.","authors":"Simran Mann, Chittibabu Shanthi, Manu Asthana","doi":"10.2174/0109298665387863250506105601","DOIUrl":"https://doi.org/10.2174/0109298665387863250506105601","url":null,"abstract":"<p><strong>Background: </strong>Molting and reproduction play vital roles in the life cycle of brachyuran crabs, and these two processes are closely interconnected. A key player in the molting cycle is cryptocyanin, which is similar to hemocyanin in sequence, size, and structure. Hemocyanin is a copper-containing oxygen-binding protein, while cryptocyanin is a copper-free protein that lacks oxygen-binding capacity.</p><p><strong>Objective: </strong>The goal of the study was to carry out the isolation, cloning, and expression of the partial cryptocyanin gene from the Indian variety of Scylla olivacea.</p><p><strong>Methods: </strong>The partial cryptocyanin gene was isolated from the hemocytes of the S. olivacea male and female crabs by qPCR for comparative expression analysis of the cryptocyanin gene.</p><p><strong>Results: </strong>We successfully amplified, cloned, and expressed a 519bp partial cDNA encoding cryptocyanin from the Indian variety of Scylla olivacea, within the pRSET-B vector.</p><p><strong>Conclusion: </strong>Our study showed that crustacean cDNA can be effectively expressed in bacterial vectors, and clones were stable for up to 6 months at -80oC. Real-time data showed a significant difference in cryptocyanin levels between male and female crabs. This finding highlights the need for further research with a larger sample size for better understanding.</p>","PeriodicalId":20736,"journal":{"name":"Protein and Peptide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144143106","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Antos Sachanka, Veronika Shchur, Yaraslau Dzichenka, Aleksei Yantsevich
{"title":"Design, Expression, and Purification of a Fusion Enzyme Containing Terminal Deoxynucleotidyl Transferase from B. bovis and DNA-Binding Proteins from E. coli.","authors":"Antos Sachanka, Veronika Shchur, Yaraslau Dzichenka, Aleksei Yantsevich","doi":"10.2174/0109298665372636250504084653","DOIUrl":"https://doi.org/10.2174/0109298665372636250504084653","url":null,"abstract":"<p><strong>Background: </strong>Gene fusion techniques have yielded promising results in the fusion of thermostable polymerases (Taq and Pfu) with single-stranded and double-stranded DNA-binding proteins. Constructing a terminal deoxynucleotidyl transferase (TdT) fusion enzyme with DNAbinding protein domains can enhance thermostability and broaden the enzyme's application field. This makes it a promising candidate for cost-effective de novo DNA synthesis and a more effective tool for demonstrating apoptosis and detecting viral DNA/RNA.</p><p><strong>Methods: </strong>The design of fusion proteins was based on molecular dynamics and homology modeling. Native and fusion proteins were isolated using affinity chromatography on HisTrap HP. Thermostability was assessed through differential scanning fluorimetry and dynamic light scattering. HPLC analysis was conducted to evaluate enzyme activity.</p><p><strong>Results: </strong>According to the in silico predictions of the fusion protein structure, a homotetramer was formed. The expressed fusion proteins were successfully purified under native conditions, similar to TdT. The total yields of the studied proteins were 130 mg/L for single-stranded binding protein from E. coli (EcSSB), 5 mg/L for TdT, 9 mg/L for TdT_L1_EcSSB, and 7 mg/L for TdT_L2_EcSSB. The measured radius of TdT (3.5 nm) was found to be consistent with a monomeric structure; however, the fusion proteins were expected to form a homotetramer. Additionally, fusion with EcSSB was found to prevent aggregation, which positively affected the thermal stability of the fusion protein. Instead of elongating the substrate by adding nucleotides, the fusion enzyme removed a nucleotide, specifically TTP, from the 3'-end of the DNA strand.</p><p><strong>Conclusion: </strong>The fusion of TdT with EcSSB resulted in increased thermal stability and a reduced ability to add nucleotides to the substrate.</p>","PeriodicalId":20736,"journal":{"name":"Protein and Peptide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144142991","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Wenqi Jiang, Lian Wu, Xiangchun Shen, Qingshan Bill Fu
{"title":"Cell-Free Expression of HPV16 Minor Capsid Protein L2 and Its Interaction with S100A10.","authors":"Wenqi Jiang, Lian Wu, Xiangchun Shen, Qingshan Bill Fu","doi":"10.2174/0109298665390494250513110604","DOIUrl":"https://doi.org/10.2174/0109298665390494250513110604","url":null,"abstract":"<p><strong>Background: </strong>Human papillomavirus type 16 (HPV16) is implicated in various malignancies. The virus enters host cells through endocytosis, during which the minor capsid protein L2 interacts with the S100A10 subunit of the annexin A2 heterotetramer (A2t) on the host cell membrane. This interaction is critical for facilitating HPV entry and subsequent infection of human cells. Therefore, examining the interaction between the L2 protein and S100A10 is crucial for advancing our understanding of the mechanisms by which HPV16 infiltrates cells.</p><p><strong>Objective: </strong>The cell-free expression (CFE) system was investigated for L2 purification. The structure of L2 was characterized and its interaction with S100A10 was explored.</p><p><strong>Methods: </strong>The L2 protein was expressed using a CFE expression system, and its expression was verified via Western blotting. L2 was further purified through size-exclusion chromatography (SEC), and its structural features were preliminarily assessed using transmission electron microscopy (TEM) and circular dichroism (CD) spectroscopy. Additionally, surface plasmon resonance (SPR) was employed to analyze the interaction between L2 and S100A10.</p><p><strong>Results: </strong>Western blotting confirmed the successful expression of L2. TEM and CD provided preliminary structural observations of L2, and SPR measurements yielded precise kinetic parameters for the interaction between L2 and S100A10.</p><p><strong>Conclusion: </strong>In this study, we successfully expressed the HPV16 L2 protein using a cell-free protein expression system. Preliminary structural analysis using TEM and CD revealed key structural features of L2. Furthermore, SPR analysis provided detailed kinetic parameters for its interaction with S100A10. These findings provide more details on understanding L2's structural features, with broader implications for antipathogen studies.</p>","PeriodicalId":20736,"journal":{"name":"Protein and Peptide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2025-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144142985","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Virtual Screening of Phytoconstituents in Indian Spices Based on their Inhibitory Potential against SARS-CoV-2.","authors":"Vaishali Singh, Aliza Rabbani, Veda P Pandey","doi":"10.2174/0109298665366911250416113831","DOIUrl":"https://doi.org/10.2174/0109298665366911250416113831","url":null,"abstract":"<p><strong>Background: </strong>COVID-19 is caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), a highly pathogenic human coronavirus (CoV). For the treatment of COVID-19, various drugs, ayurvedic formulations, used for other diseases, were repurposed. Ayurveda and yoga exhibited a pivotal role in the treatment of COVID-19. Various medicinal plants, including garlic, tulsi, clove, cinnamon, ginger, black pepper, and turmeric, are recommended for the prevention of COVID-19 as immunity boosters along with their antiviral property.</p><p><strong>Objective: </strong>In view of the drug repurposing approach, the present work has been initiated with the broader objectives of screening and identification of phytoconstituents of Indian spices against targets, namely furin, 3C-like protease (3CL-PRO), NSP-9 RNA binding protein, papain-like protease, RNA dependent RNA polymerase (RDRP), spike protein concerned with life cycle of SARS-CoV-2 using in-silico tools.</p><p><strong>Method: </strong>The phytoconstituents of Indian spices were screened for interaction with several targets using a molecular docking approach with the help of Discovery Studio 4.5 software. Furthermore, the pharmacokinetic analyses of selected ligands using ADMET and Lipinski's rule of five were also performed.</p><p><strong>Result: </strong>In the present study, more than 35 active phytoconstituents of Indian spices were screened for interaction with several identified targets of Covid-19 using a molecular docking approach. The ligands, namely morin, gingerol, myristic acid, quercetin, gallic acid, octacosanal, and alliin were found to be the top interacting ligands with the targets analyzed.</p><p><strong>Conclusion: </strong>Based on the present in-silico finding, the active components of spices could be considered for drug-lead compounds against COVID-19.</p>","PeriodicalId":20736,"journal":{"name":"Protein and Peptide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144008456","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}