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Direct Interaction of Zirconia Nanoparticles with Human Immune Cells 氧化锆纳米颗粒与人类免疫细胞的直接相互作用
Biophysica Pub Date : 2024-02-14 DOI: 10.3390/biophysica4010006
A. Barbasz, Barbara Dyba
{"title":"Direct Interaction of Zirconia Nanoparticles with Human Immune Cells","authors":"A. Barbasz, Barbara Dyba","doi":"10.3390/biophysica4010006","DOIUrl":"https://doi.org/10.3390/biophysica4010006","url":null,"abstract":"Nanomaterials play a crucial role in various aspects of modern life. Zirconia nanoparticles, extensively employed in medicine for fortifying and stabilizing implants in reconstructive medicine, exhibit unique electrical, thermal, catalytic, sensory, optical, and mechanical properties. While these nanoparticles have shown antibacterial activity, they also exhibit cytotoxic effects on human cells. Our research focuses on understanding how the cells of the human immune system (both the innate response, namely HL-60 and U-937, and the acquired response, namely HUT-78 and COLO-720L) respond to the presence of zirconium (IV) oxide nanoparticles (ZrO2-NPs). Viability tests indicate that ZrO2-NPs exert the highest cytotoxicity on HL-60 > U-937 > HUT-78 > COLO 720L cell lines. Notably, concentrations exceeding 100 μg mL−1 of ZrO2-NPs result in significant cytotoxicity. These nanoparticles readily penetrate the cell membrane, causing mitochondrial damage, and their cytotoxicity is associated with heightened oxidative stress in cells. The use of ZrO2-NP-based materials may pose a risk to immune system cells, the first responders to foreign entities in the body. Biofunctionalizing the surface of ZrO2-NPs could serve as an effective strategy to mitigate cytotoxicity and introduce new properties for biomedical applications.","PeriodicalId":72401,"journal":{"name":"Biophysica","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139776993","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
Neurite Growth and Electrical Activity in PC-12 Cells: Effects of H3 Receptor-Inspired Electromagnetic Fields and Inherent Schumann Frequencies PC-12 细胞的神经元生长和电活动:H3 受体激发的电磁场和固有舒曼频率的影响
Biophysica Pub Date : 2024-02-07 DOI: 10.3390/biophysica4010005
Landon M. Lefebvre, Adam D. Plourde-Kelly, K. Saroka, B. Dotta
{"title":"Neurite Growth and Electrical Activity in PC-12 Cells: Effects of H3 Receptor-Inspired Electromagnetic Fields and Inherent Schumann Frequencies","authors":"Landon M. Lefebvre, Adam D. Plourde-Kelly, K. Saroka, B. Dotta","doi":"10.3390/biophysica4010005","DOIUrl":"https://doi.org/10.3390/biophysica4010005","url":null,"abstract":"Cells are continually exposed to a range of electromagnetic fields (EMFs), including those from the Schumann resonance to radio waves. The effects of EMFs on cells are diverse and vary based on the specific EMF type. Recent research suggests potential therapeutic applications of EMFs for various diseases. In this study, we explored the impact of a physiologically patterned EMF, inspired by the H3 receptor associated with wakefulness, on PC-12 cells in vitro. Our hypothesis posited that the application of this EMF to differentiated PC-12 cells could enhance firing patterns at specific frequencies. Cell electrophysiology was assessed using a novel device, allowing the computation of spectral power density (SPD) scores for frequencies between 1 Hz and 128 Hz. T-tests comparing SPD at certain frequencies (e.g., 29 Hz, 30 Hz, and 79 Hz) between the H3-EMF and control groups showed a significantly higher SPD in the H3 group (p < 0.050). Moreover, at 7.8 Hz and 71 Hz, a significant correlation was observed between predicted and percentages of cells with neurites (R = 0.542). Key findings indicate the efficacy of the new electrophysiology measure for assessing PC-12 cell activity, a significant increase in cellular activity with the H3-receptor-inspired EMF at specific frequencies, and the influence of 7.8 Hz and 71 Hz frequencies on neurite growth. The overall findings support the idea that the electrical frequency profiles of developing cell systems can serve as an indicator of their progression and eventual cellular outcomes.","PeriodicalId":72401,"journal":{"name":"Biophysica","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139796671","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
Neurite Growth and Electrical Activity in PC-12 Cells: Effects of H3 Receptor-Inspired Electromagnetic Fields and Inherent Schumann Frequencies PC-12 细胞的神经元生长和电活动:H3 受体激发的电磁场和固有舒曼频率的影响
Biophysica Pub Date : 2024-02-07 DOI: 10.3390/biophysica4010005
Landon M. Lefebvre, Adam D. Plourde-Kelly, K. Saroka, B. Dotta
{"title":"Neurite Growth and Electrical Activity in PC-12 Cells: Effects of H3 Receptor-Inspired Electromagnetic Fields and Inherent Schumann Frequencies","authors":"Landon M. Lefebvre, Adam D. Plourde-Kelly, K. Saroka, B. Dotta","doi":"10.3390/biophysica4010005","DOIUrl":"https://doi.org/10.3390/biophysica4010005","url":null,"abstract":"Cells are continually exposed to a range of electromagnetic fields (EMFs), including those from the Schumann resonance to radio waves. The effects of EMFs on cells are diverse and vary based on the specific EMF type. Recent research suggests potential therapeutic applications of EMFs for various diseases. In this study, we explored the impact of a physiologically patterned EMF, inspired by the H3 receptor associated with wakefulness, on PC-12 cells in vitro. Our hypothesis posited that the application of this EMF to differentiated PC-12 cells could enhance firing patterns at specific frequencies. Cell electrophysiology was assessed using a novel device, allowing the computation of spectral power density (SPD) scores for frequencies between 1 Hz and 128 Hz. T-tests comparing SPD at certain frequencies (e.g., 29 Hz, 30 Hz, and 79 Hz) between the H3-EMF and control groups showed a significantly higher SPD in the H3 group (p < 0.050). Moreover, at 7.8 Hz and 71 Hz, a significant correlation was observed between predicted and percentages of cells with neurites (R = 0.542). Key findings indicate the efficacy of the new electrophysiology measure for assessing PC-12 cell activity, a significant increase in cellular activity with the H3-receptor-inspired EMF at specific frequencies, and the influence of 7.8 Hz and 71 Hz frequencies on neurite growth. The overall findings support the idea that the electrical frequency profiles of developing cell systems can serve as an indicator of their progression and eventual cellular outcomes.","PeriodicalId":72401,"journal":{"name":"Biophysica","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139856563","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
Bioprinting of Hydrogel-Based Drug Delivery Systems for Nerve Tissue Regeneration 用于神经组织再生的水凝胶生物打印给药系统
Biophysica Pub Date : 2024-01-31 DOI: 10.3390/biophysica4010004
Eliza Marie Steele, Zacheus L. Carr, E. Dosmar
{"title":"Bioprinting of Hydrogel-Based Drug Delivery Systems for Nerve Tissue Regeneration","authors":"Eliza Marie Steele, Zacheus L. Carr, E. Dosmar","doi":"10.3390/biophysica4010004","DOIUrl":"https://doi.org/10.3390/biophysica4010004","url":null,"abstract":"Globally, thousands of people are affected by severe nerve injuries or neurodegenerative disorders. These conditions cannot always be cured because nerve tissue either does not regenerate or does so at a slow rate. Therefore, tissue engineering has emerged as a potential treatment approach. This review discusses 3D bioprinting for scaffold manufacturing, highlights the advantages and disadvantages of common bioprinting techniques, describes important considerations for bioinks, biomaterial inks, and scaffolds, and discusses some drug delivery systems. The primary goal of this review is to bring attention to recent advances in nerve tissue engineering and its possible clinical applications in peripheral nerve, spinal cord, and cerebral nerve regeneration. Only studies that use 3D bioprinting or 3D printing to manufacture hydrogel scaffolds and incorporate the sustained release of a drug or growth factor for nerve regeneration are included. This review indicates that 3D printing is a fast and precise scaffold manufacturing technique but requires printing materials with specific properties to be effective in nervous tissue applications. The results indicate that the sustained release of certain drugs and growth factors from scaffolds can significantly improve post-printing cell viability, cell proliferation, adhesion, and differentiation, as well as functional recovery compared with scaffolds alone. However, more in vivo research needs to be conducted before this approach can be used in clinical applications.","PeriodicalId":72401,"journal":{"name":"Biophysica","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140475399","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
Supercriticality, Glassy Dynamics, and the New Insight into Melting/Freezing Discontinuous Transition in Linseed Oil 超临界性、玻璃态动力学以及亚麻籽油熔融/冷冻不连续转变的新发现
Biophysica Pub Date : 2024-01-23 DOI: 10.3390/biophysica4010003
A. Drozd-Rzoska, S. Rzoska, J. Łoś
{"title":"Supercriticality, Glassy Dynamics, and the New Insight into Melting/Freezing Discontinuous Transition in Linseed Oil","authors":"A. Drozd-Rzoska, S. Rzoska, J. Łoś","doi":"10.3390/biophysica4010003","DOIUrl":"https://doi.org/10.3390/biophysica4010003","url":null,"abstract":"The long-range supercritical changes of dielectric constant, resembling ones observed in the isotropic liquid phase of liquid crystalline compounds, are evidenced for linseed oil—although in the given case, the phenomenon is associated with the liquid–solid melting/freezing discontinuous phase transitions. This ‘supercriticality’ can be an additional factor supporting the unique pro-health properties of linseed oil. Broadband dielectric spectroscopy studies also revealed the ‘glassy’ changes of relaxation times, well portrayed by the ‘activated and critical’ equation recently introduced. In the solid phase, the premelting effect characteristic for the canonic melting/freezing discontinuous transition, i.e., without any pretransitional effect in the liquid phase, has been detected. It is interpreted within the grain model, and its parameterization is possible using the Lipovsky model and the ‘reversed’ Mossotti catastrophe concept. For the premelting effect in the solid state, the singular ‘critical’ temperature correlates with the bulk discontinuous melting and freezing temperatures. Consequently, the report shows that linseed oil, despite its ‘natural and complex’ origins, can be considered a unique model system for two fundamental problems: (i) pretransitional (supercritical) effects in the liquid state associated with a weakly discontinuous phase transition, and (ii) the premelting behavior in the solid side of the discontinuous melting/freezing discontinuous transition.","PeriodicalId":72401,"journal":{"name":"Biophysica","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139605751","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
The Effect of UV-Vis Radiation on DNA Systems Containing the Photosensitizers Methylene Blue and Acridine Orange 紫外可见光辐射对含有光敏剂亚甲基蓝和吖啶橙的 DNA 系统的影响
Biophysica Pub Date : 2024-01-12 DOI: 10.3390/biophysica4010002
Thais P. Pivetta, Paulo A. Ribeiro, M. Raposo
{"title":"The Effect of UV-Vis Radiation on DNA Systems Containing the Photosensitizers Methylene Blue and Acridine Orange","authors":"Thais P. Pivetta, Paulo A. Ribeiro, M. Raposo","doi":"10.3390/biophysica4010002","DOIUrl":"https://doi.org/10.3390/biophysica4010002","url":null,"abstract":"As a vital biomolecule, DNA is known as a target of antineoplastic drugs for cancer therapy. These drugs can show different modes of interaction with DNA, with intercalation and groove binding being the most common types. The intercalation of anticancer drugs with DNA can lead to the disruption of its normal function, influencing cell proliferation. Methylene blue (MB) and acridine orange (AO) are examples of DNA-intercalating agents that have been studied for their application against some types of cancer, mainly for photodynamic therapy. In this work, the impact of light irradiation on these compounds in the absence and presence of DNA was analyzed by means of UV-vis spectroscopy. Bathochromic and hypochromic shifts were observed in the absorbance spectra, revealing the intercalation of the dyes with the DNA base pairs. Dyes with and without DNA present different profiles of photodegradation, whereby the dyes alone were more susceptible to degradation. This can be justified by the intercalation of the dyes on the DNA base pairs allowing the DNA molecule to partially hinder the molecules’ exposition and, therefore, reducing their degradation.","PeriodicalId":72401,"journal":{"name":"Biophysica","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139533079","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
The Influence of Magnetic Fields, Including the Planetary Magnetic Field, on Complex Life Forms: How Do Biological Systems Function in This Field and in Electromagnetic Fields? 磁场(包括行星磁场)对复杂生命形式的影响:生物系统如何在该磁场和电磁场中发挥作用?
Biophysica Pub Date : 2024-01-02 DOI: 10.3390/biophysica4010001
David A Hart
{"title":"The Influence of Magnetic Fields, Including the Planetary Magnetic Field, on Complex Life Forms: How Do Biological Systems Function in This Field and in Electromagnetic Fields?","authors":"David A Hart","doi":"10.3390/biophysica4010001","DOIUrl":"https://doi.org/10.3390/biophysica4010001","url":null,"abstract":"Life on Earth evolved to accommodate the biochemical and biophysical boundary conditions of the planet millions of years ago. The former includes nutrients, water, and the ability to synthesize other needed chemicals. The latter includes the 1 g gravity of the planet, radiation, and the geomagnetic field (GMF) of the planet. How complex life forms have accommodated the GMF is not known in detail, considering that Homo sapiens evolved a neurological system, a neuromuscular system, and a cardiovascular system that developed electromagnetic fields as part of their functioning. Therefore, all of these could be impacted by magnetic fields. In addition, many proteins and physiologic processes utilize iron ions, which exhibit magnetic properties. Thus, complex organisms, such as humans, generate magnetic fields, contain significant quantities of iron ions, and respond to exogenous static and electromagnetic fields. Given the current body of literature, it remains somewhat unclear if Homo sapiens use exogenous magnetic fields to regulate function and what can happen if the boundary condition of the GMF no longer exerts an effect. Proposed deep space flights to destinations such as Mars will provide some insights, as space flight could not have been anticipated by evolution. The results of such space flight “experiments” will provide new insights into the role of magnetic fields on human functioning. This review will discuss the literature regarding the involvement of magnetic fields in various normal and disturbed processes in humans while on Earth and then further discuss potential outcomes when the GMF is no longer present to impact host systems, as well as the limitations in the current knowledge. The GMF has been present throughout evolution, but many details of its role in human functioning remain to be elucidated, and how humans have adapted to such fields in order to develop and retain function remains to be elucidated. Why this understudied area has not received the attention required to elucidate the critical information remains a conundrum for both health professionals and those embarking on space flight. However, proposed deep space flights to destinations such as Mars may provide the environments to test and assess the potential roles of magnetic fields in human functioning.","PeriodicalId":72401,"journal":{"name":"Biophysica","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139390853","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
Does Proprioception Involve Synchronization with Theta Rhythms by a Novel Piezo2 Initiated Ultrafast VGLUT2 Signaling? 肢体感觉是否涉及由新型 Piezo2 启动的超快 VGLUT2 信号与 Theta 节律同步?
Biophysica Pub Date : 2023-12-18 DOI: 10.3390/biophysica3040046
B. Sonkodi
{"title":"Does Proprioception Involve Synchronization with Theta Rhythms by a Novel Piezo2 Initiated Ultrafast VGLUT2 Signaling?","authors":"B. Sonkodi","doi":"10.3390/biophysica3040046","DOIUrl":"https://doi.org/10.3390/biophysica3040046","url":null,"abstract":"This opinion manuscript outlines how the hippocampal theta rhythm could receive two novel peripheral inputs. One of the ways this could be achieved is through Piezo2 channels and atypical hippocampal-like metabotropic glutamate receptors coupled to phospholipase D containing proprioceptive primary afferent terminals. Accordingly, activated proprioceptive terminal Piezo2 on Type Ia fibers synchronizes to the theta rhythm with the help of hippocampal Piezo2 and medial septal glutamatergic neurons. Second, after baroreceptor Piezo2 is entrained to activated proprioceptive Piezo2, it could turn on the Cav1.3 channels, which pace the heart rhythm and regulate pacemaker cells during cardiac sympathetic activation. This would allow the Cav1.3 channels to synchronize to theta rhythm pacemaker hippocampal parvalbumin-expressing GABAergic neurons. This novel Piezo2-initiated proton–proton frequency coupling through VGLUT2 may provide the ultrafast long-range signaling pathway for the proposed Piezo2 synchronization of the low-frequency glutamatergic cell surface membrane oscillations in order to provide peripheral spatial and speed inputs to the space and speed coding of the hippocampal theta rhythm, supporting locomotion, learning and memory. Moreover, it provides an ultrafast signaling for postural and orthostatic control. Finally, suggestions are made as to how Piezo2 channelopathy could impair this ultrafast communication in many conditions and diseases with not entirely known etiology, leading to impaired proprioception and/or autonomic disbalance.","PeriodicalId":72401,"journal":{"name":"Biophysica","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138964401","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
Dual Nucleosomal Double-Strand Breaks Are the Key Effectors of Curative Radiation Therapy 双核苷酸双链断裂是放射治疗的关键效应因子
Biophysica Pub Date : 2023-12-14 DOI: 10.3390/biophysica3040045
Anders Brahme, Yvonne Lorat
{"title":"Dual Nucleosomal Double-Strand Breaks Are the Key Effectors of Curative Radiation Therapy","authors":"Anders Brahme, Yvonne Lorat","doi":"10.3390/biophysica3040045","DOIUrl":"https://doi.org/10.3390/biophysica3040045","url":null,"abstract":"Most ionizing radiation produces δ-rays of ≈1 keV that can impart MGy doses to 100 nm3 volumes of DNA. These events can produce severe dual double-strand breaks (DDSBs) on nucleosomes, particularly in dense heterochromatic DNA. This is the most common multiply damaged site, and their probabilities determine the biological effectiveness of different types of radiation. We discuss their frequency, effect on cell survival, DNA repair, and imaging by gold nanoparticle tracers and electron microscopy. This new and valuable nanometer resolution information can be used for determining the optimal tumor cure by maximizing therapeutic effects on tumors and minimizing therapeutic effects on normal tissues. The production of DDSBs makes it important to deliver a rather high dose and LET to the tumor (>2.5 Gy/Fr) and at the same time reach approximately 1.8–2.3 Gy of the lowest possible LET per fraction in TP53 intact normal tissues at risk. Therefore, their intrinsic low-dose hyper-sensitivity (LDHS)-related optimal daily fractionation window is utilized. Before full p53 activation of NHEJ and HR repair at ≈½ Gy, the low-dose apoptosis (LDA) and LDHS minimize normal tissue mutation probabilities. Ion therapy should thus ideally produce the lowest possible LET in normal tissues to avoid elevated DDSBs. Helium to boron ions can achieve this with higher-LET Bragg peaks, producing increased tumor DDSB densities. Interestingly, the highest probability of complication-free cure with boron or heavier ions requires a low LET round-up for the last 10–15 GyE, thereby steepening the dose response and further minimizing normal tissue damage. In conclusion, the new high-resolution DSB and DDSB diagnostic methods, and the new more accurate DNA-repair-based radiation biology, have been combined to increase our understanding of what is clinically important in curative radiation therapy. In fact, we must understand that we already passed the region of optimal LET and need to go back one step rather than forward, with oxygen being contemplated. As seen by the high overkill and severely high LET in the distal tumor and the increased LET to normal tissues (reminding of neutrons or neon ions), it is therefore preferable to use lithium–boron ions or combine carbon with an optimal 10–15 GyE photon, electron, or perhaps even a proton round-up, thus allowing optimized, fractionated, curative, almost complication-free treatments with photons, electrons, and light ions, introducing a real paradigm shift in curative radiation therapy with a potential 5 GyE tumor boost, 25% increase in complication-free cure and apoptotic–senescent Bragg Peak molecular light ion radiation therapy.","PeriodicalId":72401,"journal":{"name":"Biophysica","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138971403","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: 1
Screening and Analysis of Potential Inhibitors of SHMT2 筛选和分析 SHMT2 的潜在抑制剂
Biophysica Pub Date : 2023-12-03 DOI: 10.3390/biophysica3040044
Bojin Chen, J. Z. Zhang
{"title":"Screening and Analysis of Potential Inhibitors of SHMT2","authors":"Bojin Chen, J. Z. Zhang","doi":"10.3390/biophysica3040044","DOIUrl":"https://doi.org/10.3390/biophysica3040044","url":null,"abstract":"Serine hydroxymethyltransferase 2 (SHMT2) has garnered significant attention as a critical catalytic regulator of the serine/glycine pathway in the one-carbon metabolism of cancer cells. Despite its potential as an anti-cancer target, only a limited number of inhibitors have been identified so far. In this study, we employed seven different scoring functions and skeleton clustering to screen the ChemDiv database for 38 compounds, 20 of which originate from the same skeleton structure. The most significant residues from SHMT2 and chemical groups from the inhibitors were identified using ASGBIE (Alanine Scanning with Generalized Born model and Interaction Entropy), and the binding energy of each residue was quantitatively determined, revealing the essential features of the protein–inhibitor interaction. The two most important contributing residues are TYR105 and TYR106 of the B chain followed by LEU166 and ARG425 of the A chain. The findings will be greatly helpful in developing a thorough comprehension of the binding mechanisms involved in drug–SHMT2 interactions and offer valuable direction for designing more potent inhibitors.","PeriodicalId":72401,"journal":{"name":"Biophysica","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138604896","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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