Biomolecular Concepts最新文献

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Synergistic effects of essential oils and phenolic extracts on antimicrobial activities using blends of Artemisia campestris, Artemisia herba alba, and Citrus aurantium. 使用野蒿、白花蒿和枳壳的混合物,研究精油和酚类提取物对抗菌活性的协同效应。
Biomolecular Concepts Pub Date : 2024-02-14 eCollection Date: 2024-01-01 DOI: 10.1515/bmc-2022-0040
Boualem Benamar-Aissa, Nadhir Gourine, Mohamed Ouinten, Mohamed Yousfi
{"title":"Synergistic effects of essential oils and phenolic extracts on antimicrobial activities using blends of <i>Artemisia campestris</i>, <i>Artemisia herba alba</i>, and <i>Citrus aurantium</i>.","authors":"Boualem Benamar-Aissa, Nadhir Gourine, Mohamed Ouinten, Mohamed Yousfi","doi":"10.1515/bmc-2022-0040","DOIUrl":"10.1515/bmc-2022-0040","url":null,"abstract":"<p><p>This study explores the synergistic antibacterial effects of essential oils (EOs) and phenolic extracts from three plants against foodborne pathogenic bacteria. The present work aimed to investigate the synergistic effects of the binary and the ternary combinations of extracts using different blend proportions of the following plant extracts: <i>Artemisia campestris</i> (AC), <i>Artemisia herba alba</i> (AHA), and <i>Citrus aurantium</i> (CA). The antimicrobial activities of EOs and phenolic extracts were determined and evaluated against five strains. For the EOs, the results of the DIZ showed the existence of synergism for different combinations of binary blends, such as AC/AHA or AHA/CA against <i>Escherichia coli</i>, and AC/CA against <i>Enterobacter faecalis</i>. In addition, ternary blends of AC:AHA:CA at a ratio of 1/6:2/3:1/6 exhibited a synergy effect, as measured by the CI, against <i>E. coli</i>. On the other hand, for the phenolic extracts, synergistic effects were noticed for binary blends of AC/CA at different ratios against <i>E. coli</i>, <i>E. faecalis,</i> and <i>Pseudomonas aeruginosa</i> strains. Similarly, ternary blends of phenolic extracts presented synergy against <i>E. coli</i>, <i>E. faecalis</i>, <i>P. aeruginosa</i> strains, and even <i>C. albicans</i>. In this case, the blending ratios were crucial determining factors for maximizing the synergy effect. The study established that the proportion of a single drug could play an essential role in determining the bioefficacy of a drug combination treatment. Therefore, the results showed the importance of studying the modulation of antibacterial activities based on the proportions of extracts in the mixture and finding the range of proportions (as determined by SLMD) that have a synergistic/additive/antagonistic effect with no or low side effects, which can be used in a food preservation system.</p>","PeriodicalId":38392,"journal":{"name":"Biomolecular Concepts","volume":"15 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139730702","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}
引用次数: 0
Digital methylation-specific PCR: New applications for liquid biopsy. 数字甲基化特异性 PCR:液体活检的新应用
Biomolecular Concepts Pub Date : 2024-02-12 eCollection Date: 2024-01-01 DOI: 10.1515/bmc-2022-0041
Gabriela Casani Cardoso, Fernando Augusto de Oliveira Ganzella, Guilherme Miniskiskosky, Regiane Stafim da Cunha, Edneia Amancio de Souza Ramos
{"title":"Digital methylation-specific PCR: New applications for liquid biopsy.","authors":"Gabriela Casani Cardoso, Fernando Augusto de Oliveira Ganzella, Guilherme Miniskiskosky, Regiane Stafim da Cunha, Edneia Amancio de Souza Ramos","doi":"10.1515/bmc-2022-0041","DOIUrl":"10.1515/bmc-2022-0041","url":null,"abstract":"<p><p>Epigenetic analysis is a fundamental part of understanding pathophysiological processes with potential applications in diagnosis, prognosis, and assessment of disease susceptibility. Epigenetic changes have been widely studied in chronic obstructive pulmonary disease (COPD), but currently, there is no molecular marker used to improve the treatment of patients. Furthermore, this progressive disease is a risk factor for the development of more severe COVID-19. Methylation-specific polymerase chain reaction (MSP-PCR) plays an important role in the analysis of DNA methylation profiles, and it is one of the most widely used techniques. In this context, the combination of MSP-PCR with emerging PCR technologies, such as digital PCR (dPCR), results in more accurate analyses of the DNA methylation profile of the genes under study. In this study, we propose the application of the MSP-dPCR technique to evaluate the methylation profile of the <i>ADAM33</i> gene from saliva samples and lung tissue biopsies of patients with COPD and COVID-19. MSP-dPCR generated a measurable prediction of gene methylation rate, with the potential application of this combined technology for diagnostic and prognostic purposes. It has also proven to be a powerful tool for liquid biopsy applications.</p>","PeriodicalId":38392,"journal":{"name":"Biomolecular Concepts","volume":"15 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139724361","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}
引用次数: 0
Antitumor activity of 5-hydroxy-3',4',6,7-tetramethoxyflavone in glioblastoma cell lines and its antagonism with radiotherapy. 5-羟基-3',4',6,7-四甲氧基黄酮在胶质母细胞瘤细胞系中的抗肿瘤活性及其与放疗的拮抗作用。
Biomolecular Concepts Pub Date : 2024-02-12 eCollection Date: 2024-01-01 DOI: 10.1515/bmc-2022-0039
Panagiota Papapetrou, Kyriakos Dimitriadis, Vasiliki Galani, Vasiliki Zoi, Maria Giannakopoulou, Vasiliki A Papathanasopoulou, Chrissa Sioka, Pericles Tsekeris, Athanassios P Kyritsis, Diamanto Lazari, George A Alexiou
{"title":"Antitumor activity of 5-hydroxy-3',4',6,7-tetramethoxyflavone in glioblastoma cell lines and its antagonism with radiotherapy.","authors":"Panagiota Papapetrou, Kyriakos Dimitriadis, Vasiliki Galani, Vasiliki Zoi, Maria Giannakopoulou, Vasiliki A Papathanasopoulou, Chrissa Sioka, Pericles Tsekeris, Athanassios P Kyritsis, Diamanto Lazari, George A Alexiou","doi":"10.1515/bmc-2022-0039","DOIUrl":"10.1515/bmc-2022-0039","url":null,"abstract":"<p><p>5-Hydroxy-3',4',6,7-tetramethoxyflavone (TMF) is a plant-origin flavone known for its anti-cancer properties. In the present study, the cytotoxic effect of TMF was evaluated in the U87MG and T98G glioblastoma (GBM) cell lines. The effect of TMF on cell viability was assessed with trypan blue exclusion assay and crystal violet staining. In addition, flow cytometry was performed to examine its effect on the different phases of the cell cycle, and <i>in vitro</i> scratch wound assay assessed the migratory capacity of the treated cells. Furthermore, the effect of <i>in vitro</i> radiotherapy was also evaluated with a combination of TMF and radiation. In both cell lines, TMF treatment resulted in G0/G1 cell cycle arrest, reduced cell viability, and reduced cell migratory capacity. In contrast, there was an antagonistic property of TMF treatment with radiotherapy. These results demonstrated the antineoplastic effect of TMF in GBM cells <i>in vitro</i>, but the antagonistic effect with radiotherapy indicated that TMF should be further evaluated for its possible antitumor role post-radiotherapy.</p>","PeriodicalId":38392,"journal":{"name":"Biomolecular Concepts","volume":"15 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139724360","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}
引用次数: 0
Polycystic ovary syndrome and its management: In view of oxidative stress. 多囊卵巢综合征及其治疗:氧化应激。
Biomolecular Concepts Pub Date : 2024-01-19 eCollection Date: 2024-01-01 DOI: 10.1515/bmc-2022-0038
Koushik Bhattacharya, Rajen Dey, Debanjana Sen, Nimisha Paul, Asim Kumar Basak, Mohuya Patra Purkait, Nandini Shukla, Gargi Ray Chaudhuri, Aniruddha Bhattacharya, Rajkumar Maiti, Krishnendu Adhikary, Prity Chatterjee, Prithviraj Karak, Alak Kumar Syamal
{"title":"Polycystic ovary syndrome and its management: In view of oxidative stress.","authors":"Koushik Bhattacharya, Rajen Dey, Debanjana Sen, Nimisha Paul, Asim Kumar Basak, Mohuya Patra Purkait, Nandini Shukla, Gargi Ray Chaudhuri, Aniruddha Bhattacharya, Rajkumar Maiti, Krishnendu Adhikary, Prity Chatterjee, Prithviraj Karak, Alak Kumar Syamal","doi":"10.1515/bmc-2022-0038","DOIUrl":"10.1515/bmc-2022-0038","url":null,"abstract":"<p><p>In the past two decades, oxidative stress (OS) has drawn a lot of interest due to the revelation that individuals with many persistent disorders including diabetes, polycystic ovarian syndrome (PCOS), cardiovascular, and other disorders often have aberrant oxidation statuses. OS has a close interplay with PCOS features such as insulin resistance, hyperandrogenism, and chronic inflammation; there is a belief that OS might contribute to the development of PCOS. PCOS is currently recognized as not only one of the most prevalent endocrine disorders but also a significant contributor to female infertility, affecting a considerable proportion of women globally. Therefore, the understanding of the relationship between OS and PCOS is crucial to the development of therapeutic and preventive strategies for PCOS. Moreover, the mechanistic study of intracellular reactive oxygen species/ reactive nitrogen species formation and its possible interaction with women's reproductive health is required, which includes complex enzymatic and non-enzymatic antioxidant systems. Apart from that, our current review includes possible regulation of the pathogenesis of OS. A change in lifestyle, including physical activity, various supplements that boost antioxidant levels, particularly vitamins, and the usage of medicinal herbs, is thought to be the best way to combat this occurrence of OS and improve the pathophysiologic conditions associated with PCOS.</p>","PeriodicalId":38392,"journal":{"name":"Biomolecular Concepts","volume":"15 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139503068","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}
引用次数: 0
7Be and 22Na radionuclides for a new therapy for cancer. 用于癌症新疗法的 7Be 和 22Na 放射性核素。
Biomolecular Concepts Pub Date : 2023-12-31 eCollection Date: 2023-01-01 DOI: 10.1515/bmc-2022-0028
Vladimir I Kukulin, Anton V Bibikov, Eugene V Tkalya, Matteo Ceccarelli, Igor V Bodrenko
{"title":"<sup>7</sup>Be and <sup>22</sup>Na radionuclides for a new therapy for cancer.","authors":"Vladimir I Kukulin, Anton V Bibikov, Eugene V Tkalya, Matteo Ceccarelli, Igor V Bodrenko","doi":"10.1515/bmc-2022-0028","DOIUrl":"10.1515/bmc-2022-0028","url":null,"abstract":"<p><p><sup>10</sup>B isotopes have been almost exclusively used in the neutron-capture radiation therapy (NCT) of cancer for decades. We have identified two other nuclides suitable for radiotherapy, which have ca. ten times larger cross section of absorption for neutrons and emit heavy charged particles. This would provide several key advantages for potential NCT, such as the possibility to use a lower nuclide concentration in the target tissues or a lower neutron irradiation flux. By detecting the characteristic γ radiation from the spontaneous decay of the radionuclides, one can image their biodistribution. These advantages could open up new possibilities for NCT applications as a safer and more efficient cancer therapy.</p>","PeriodicalId":38392,"journal":{"name":"Biomolecular Concepts","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139088928","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}
引用次数: 0
Mitigation of the hyperglycemic effect of streptozotocin-induced diabetes albino rats using biosynthesized copper oxide nanoparticles. 利用生物合成的纳米氧化铜颗粒缓解链脲佐菌素诱导的白化糖尿病大鼠的高血糖效应。
Biomolecular Concepts Pub Date : 2023-12-31 eCollection Date: 2023-01-01 DOI: 10.1515/bmc-2022-0037
Ahmed Saber Hussein, Amr H Hashem, Salem S Salem
{"title":"Mitigation of the hyperglycemic effect of streptozotocin-induced diabetes albino rats using biosynthesized copper oxide nanoparticles.","authors":"Ahmed Saber Hussein, Amr H Hashem, Salem S Salem","doi":"10.1515/bmc-2022-0037","DOIUrl":"10.1515/bmc-2022-0037","url":null,"abstract":"<p><p>Diabetes mellitus is a metabolic disorder described by compromised insulin synthesis or resistance to insulin inside the human body. Diabetes is a persistent metabolic condition defined by elevated amounts of glucose in the bloodstream, resulting in a range of potential consequences. The main purpose of this study was to find out how biosynthesized copper oxide nanoparticles (CuONPs) affect the blood sugar levels of diabetic albino rats induced by streptozotocin (STZ). In the current study, CuONPs were successfully biosynthesized using <i>Saccharomyes cervisiae</i> using an eco-friendly method. Characterization results revealed that biosynthesized CuONPs appeared at 376 nm with a spherical shape with sizes ranging from 4 to 47.8 nm. Furthermore, results illustrated that administration of 0.5 and 5 mg/kg CuONP in diabetic rats showed a significant decrease in blood glucose levels accompanied by elevated insulin levels when compared to the diabetic control group; however, administration of 0.5 mg/kg is the best choice for diabetic management. Furthermore, it was found that the group treated with CuONPs exhibited a noteworthy elevation in the HDL-C level, along with a depletion in triglycerides, total cholesterol, LDL-C, and VLDL-cholesterol levels compared to the diabetic control group. This study found that administration of CuONPs reduced hyperglycemia and improved pancreatic function as well as dyslipidemia in diabetic rats exposed to STZ, suggesting their potential as a promising therapeutic agent for diabetes treatment.</p>","PeriodicalId":38392,"journal":{"name":"Biomolecular Concepts","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139479439","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}
引用次数: 0
Potential PDE4B inhibitors as promising candidates against SARS-CoV-2 infection. 潜在的PDE4B抑制剂是对抗严重急性呼吸系统综合征冠状病毒2型感染的有前景的候选者。
Biomolecular Concepts Pub Date : 2023-11-01 eCollection Date: 2023-01-01 DOI: 10.1515/bmc-2022-0033
Federica Giuzio, Maria Grazia Bonomo, Alessia Catalano, Vittoria Infantino, Giovanni Salzano, Magnus Monné, Athina Geronikaki, Anthi Petrou, Stefano Aquaro, Maria Stefania Sinicropi, Carmela Saturnino
{"title":"Potential PDE4B inhibitors as promising candidates against SARS-CoV-2 infection.","authors":"Federica Giuzio,&nbsp;Maria Grazia Bonomo,&nbsp;Alessia Catalano,&nbsp;Vittoria Infantino,&nbsp;Giovanni Salzano,&nbsp;Magnus Monné,&nbsp;Athina Geronikaki,&nbsp;Anthi Petrou,&nbsp;Stefano Aquaro,&nbsp;Maria Stefania Sinicropi,&nbsp;Carmela Saturnino","doi":"10.1515/bmc-2022-0033","DOIUrl":"10.1515/bmc-2022-0033","url":null,"abstract":"<p><p>Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) is an RNA virus belonging to the coronavirus family responsible for coronavirus disease 2019 (COVID-19). It primarily affects the pulmonary system, which is the target of chronic obstructive pulmonary disease (COPD), for which many new compounds have been developed. In this study, phosphodiesterase 4 (PDE4) inhibitors are being investigated. The inhibition of PDE4 enzyme produces anti-inflammatory and bronchodilator effects in the lung by inducing an increase in cAMP concentrations. Piclamilast and rolipram are known selective inhibitors of PDE4, which are unfortunately endowed with common side effects, such as nausea and emesis. The selective inhibition of the phosphodiesterase 4B (PDE4B) subtype may represent an intriguing technique for combating this highly contagious disease with fewer side effects. In this article, molecular docking studies for the selective inhibition of the PDE4B enzyme have been carried out on 21 in-house compounds. The compounds were docked into the pocket of the PDE4B catalytic site, and in most cases, they were almost completely superimposed onto piclamilast. Then, in order to enlarge our study, drug-likeness prediction studies were performed on the compounds under study.</p>","PeriodicalId":38392,"journal":{"name":"Biomolecular Concepts","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"71427582","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}
引用次数: 0
Proteins turn "Proteans" - The over 40-year delayed paradigm shift in structural biology: From "native proteins in uniquely defined configurations" to "intrinsically disordered proteins". 蛋白质转变为“变形体”-结构生物学中超过40年的延迟范式转变:从“独特定义结构的天然蛋白质”到“内在无序的蛋白质”。
Biomolecular Concepts Pub Date : 2023-01-01 DOI: 10.1515/bmc-2022-0030
Eugenio Frixione, Lourdes Ruiz-Zamarripa
{"title":"Proteins turn \"Proteans\" - The over 40-year delayed paradigm shift in structural biology: From <i>\"native proteins in uniquely defined configurations\"</i> to <i>\"intrinsically disordered proteins\"</i>.","authors":"Eugenio Frixione,&nbsp;Lourdes Ruiz-Zamarripa","doi":"10.1515/bmc-2022-0030","DOIUrl":"https://doi.org/10.1515/bmc-2022-0030","url":null,"abstract":"<p><p>The current millennium brought up a revolutionary paradigm shift in molecular biology: many operative proteins, rather than being quasi-rigid polypeptide chains folded into unique configurations - as believed throughout most of the past century - are now known to be intrinsically disordered, dynamic, pleomorphic, and multifunctional structures with stochastic behaviors. Yet, part of this knowledge, including suggestions about possible mechanisms and plenty of evidence for the same, became available by the 1950s and 1960s to remain then nearly forgotten for over 40 years. Here, we review the main steps toward the classic notions about protein structures, as well as the neglected precedents of present views, discuss possible explanations for such long oblivion, and offer a sketch of the current panorama in this field.</p>","PeriodicalId":38392,"journal":{"name":"Biomolecular Concepts","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9711111","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}
引用次数: 0
Modeling of olfactory transduction in AWCON neuron via coupled electrical-calcium dynamics. 基于电-钙耦合动力学的AWCON神经元嗅觉转导模型。
Biomolecular Concepts Pub Date : 2023-01-01 DOI: 10.1515/bmc-2022-0035
Martina Nicoletti, Nicole Luchetti, Letizia Chiodo, Alessandro Loppini, Viola Folli, Giancarlo Ruocco, Simonetta Filippi
{"title":"Modeling of olfactory transduction in AWC<sup>ON</sup> neuron via coupled electrical-calcium dynamics.","authors":"Martina Nicoletti,&nbsp;Nicole Luchetti,&nbsp;Letizia Chiodo,&nbsp;Alessandro Loppini,&nbsp;Viola Folli,&nbsp;Giancarlo Ruocco,&nbsp;Simonetta Filippi","doi":"10.1515/bmc-2022-0035","DOIUrl":"https://doi.org/10.1515/bmc-2022-0035","url":null,"abstract":"<p><p>Amphid wing \"C\" (AWC) neurons are among the most important and studied neurons of the nematode <i>Caenorhabditis elegans.</i> In this work, we unify the existing electrical and intracellular calcium dynamics descriptions to obtain a biophysically accurate model of olfactory transduction in AWC<sup>ON</sup> neurons. We study the membrane voltage and the intracellular calcium dynamics at different exposure times and odorant concentrations to grasp a complete picture of AWC<sup>ON</sup> functioning. Moreover, we investigate the complex cascade of biochemical processes that allow AWC activation upon odor removal. We analyze the behavior of the different components of the models and, by suppressing them selectively, we extrapolate their contribution to the overall neuron response and study the resilience of the dynamical system. Our results are all in agreement with the available experimental data. Therefore, we provide an accurate mathematical and biophysical model for studying olfactory signal processing in <i>C. elegans.</i></p>","PeriodicalId":38392,"journal":{"name":"Biomolecular Concepts","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9988910","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}
引用次数: 0
Head or tail? A molecular dynamics approach to the complex structure of TNF-associated factor TRAF2. 头还是尾?tnf相关因子TRAF2复杂结构的分子动力学研究。
Biomolecular Concepts Pub Date : 2023-01-01 DOI: 10.1515/bmc-2022-0031
Fulvio Erba, Luisa Di Paola, Almerinda Di Venere, Eloise Mastrangelo, Federica Cossu, Giampiero Mei, Velia Minicozzi
{"title":"Head or tail? A molecular dynamics approach to the complex structure of TNF-associated factor TRAF2.","authors":"Fulvio Erba,&nbsp;Luisa Di Paola,&nbsp;Almerinda Di Venere,&nbsp;Eloise Mastrangelo,&nbsp;Federica Cossu,&nbsp;Giampiero Mei,&nbsp;Velia Minicozzi","doi":"10.1515/bmc-2022-0031","DOIUrl":"https://doi.org/10.1515/bmc-2022-0031","url":null,"abstract":"<p><p>Tumor necrosis factor receptor-associated factor proteins (TRAFs) are trimeric proteins that play a fundamental role in signaling, acting as intermediaries between the tumor necrosis factor (TNF) receptors and the proteins that transmit the downstream signal. The monomeric subunits of all the TRAF family members share a common tridimensional structure: a C-terminal globular domain and a long coiled-coil tail characterizing the N-terminal section. In this study, the dependence of the TRAF2 dynamics on the length of its tail was analyzed <i>in silico</i>. In particular, we used the available crystallographic structure of a C-terminal fragment of TRAF2 (168 out of 501 a.a.), TRAF2-C, and that of a longer construct, addressed as TRAF2-plus, that we have re-constructed using the AlphaFold2 code. The results indicate that the longer N-terminal tail of TRAF2-plus has a strong influence on the dynamics of the globular regions in the protein C-terminal head. In fact, the quaternary interactions among the TRAF2-C subunits change asymmetrically in time, while the movements of TRAF2-plus monomers are rather limited and more ordered than those of the shorter construct. Such findings shed a new light on the dynamics of TRAF subunits and on the protein mechanism <i>in vivo</i>, since TRAF monomer-trimer equilibrium is crucial for several reasons (receptor recognition, membrane binding, hetero-oligomerization).</p>","PeriodicalId":38392,"journal":{"name":"Biomolecular Concepts","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9751670","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}
引用次数: 0
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