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Triple-layered encapsulation of sensitive biomolecules into poly (ε-caprolactone) nanofibers using AC electrospraying. 利用交流电喷雾技术将敏感生物分子三层封装到聚(ε-己内酯)纳米纤维中。
IF 3.6 4区 医学 Q2 ENGINEERING, BIOMEDICAL Pub Date : 2024-09-12 DOI: 10.1080/09205063.2024.2399387
Nikifor Asatiani,Petra Křtěnová,Pavel Šimon,Štěpán Kunc,Petr Mikeš
The incorporation of sensitive bioactive substances such as proteins or DNA into nanofibers poses a significant problem due to the toxicity of most organic solvents. The main idea of this study is to use alternating current electrospraying to create a suspension consisting of polyvinyl alcohol (PVA) capsules containing a bioactive substance dispersed in a solvent system suitable for a water-insoluble biocompatible polymer. In this suspension consisting of PVA capsules and a chloroform/ethanol mixture, poly (ε-caprolactone) (PCL) was dissolved and spun by needle-free electrospinning. The result is a fibrous PCL structure in which PVA capsules containing the bioactive agent are integrated. The PVA capsules protect the bioactive substance from the organic solvents needed to dissolve the PCL. To verify the efficacy of the capsules' protection against chloroform, the green fluorescent protein was first encapsulated into the nanofibers, followed by horseradish peroxidase. Both molecules were shown to retain their bioactivity within the nanofibers.
由于大多数有机溶剂的毒性,将敏感的生物活性物质(如蛋白质或 DNA)加入纳米纤维是一个重大问题。本研究的主要思路是利用交流电喷涂技术制造一种悬浮液,该悬浮液由聚乙烯醇(PVA)胶囊组成,其中含有分散在适合水不溶性生物相容性聚合物的溶剂系统中的生物活性物质。在这种由 PVA 胶囊和氯仿/乙醇混合物组成的悬浮液中,溶解了聚(ε-己内酯)(PCL),并通过无针电纺丝进行纺丝。最后得到一种纤维状 PCL 结构,其中集成了含有生物活性剂的 PVA 胶囊。PVA 胶囊保护生物活性物质不受溶解 PCL 所需的有机溶剂的影响。为了验证胶囊对氯仿的保护效果,首先将绿色荧光蛋白封装到纳米纤维中,然后再封装辣根过氧化物酶。结果表明,这两种分子在纳米纤维中都保持了生物活性。
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引用次数: 0
Design of poly(vinyl pyrrolidone) and poly(ethylene glycol) microneedle arrays for delivering glycosaminoglycan, chondroitin sulfate, and hyaluronic acid 设计用于输送糖胺聚糖、硫酸软骨素和透明质酸的聚乙烯吡咯烷酮和聚乙二醇微针阵列
IF 3.6 4区 医学 Q2 ENGINEERING, BIOMEDICAL Pub Date : 2024-09-12 DOI: 10.1080/09205063.2024.2392914
Andisheh Choupani, Elif Sevval Temucin, Eda Ciftci, Feray Bakan, Busra Tugba Camic, Guralp Ozkoc, Meltem Sezen, Petek Korkusuz, Feza Korkusuz, Bekir Bediz
Osteoarthritis (OA) is a prevalent joint disorder characterized by cartilage and bone degradation. Medical therapies like glucosaminoglycan (GAG), chondroitin sulfate (CS), and hyaluronic acid (HA)...
骨关节炎(OA)是一种以软骨和骨质退化为特征的常见关节疾病。葡萄糖胺聚糖(GAG)、硫酸软骨素(CS)和透明质酸(HA)等药物疗法...
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引用次数: 0
Robust tissue adhesion in biomedical applications: enhancing polymer stability in an injectable protein-based hydrogel. 生物医学应用中稳健的组织粘附性:增强可注射蛋白质水凝胶中聚合物的稳定性。
IF 3.6 4区 医学 Q2 ENGINEERING, BIOMEDICAL Pub Date : 2024-09-11 DOI: 10.1080/09205063.2024.2398888
Pijush Giri,Daman Yadav,Balaram Mishra,Mukesh Kumar Gupta,Devendra Verma
Protein-based hydrogels are appealing materials for a variety of therapeutic uses because they are compatible, biodegradable, and adaptable to biological and chemical changes. Therefore, adherent varieties of hydrogels have received significant study; nevertheless, the majority of them show weak mechanical characteristics, transient adherence, poor biocompatibility activity, and low tensile strength. Here we are reporting, a two-component (BSA-gelatin) protein solution crosslinked with Tetrakis (hydroxymethyl) phosphonium chloride (THPC) to form a novel hydrogel. Compared with classical adhesive hydrogels, this hydrogel showed enhanced mechanical properties, was biocompatible with L929 cells, and had minimal invasive injectability. A considerable, high tensile strength of 73.33 ± 11.54 KPa and faultless compressive mechanical properties of 173 KPa at 75% strain were both demonstrated by this adhesive hydrogel. Moreover, this maximum tissue adhesion strength could reach 18.29 ± 2.22 kPa, significantly higher than fibrin glue. Cell viability was 97.09 ± 6.07%, which indicated that these hydrogels were non-toxic to L929. The fastest gelation time of the BSA-gelatin hydrogel was 1.25 ± 0.17 min at physiological pH and 37 °C. Therefore, the obtained novel work can potentially serve as a tissue adhesive hydrogel in the field of biomedical industries.
基于蛋白质的水凝胶具有兼容性、生物可降解性以及对生物和化学变化的适应性,因此是具有多种治疗用途的理想材料。因此,人们对粘附型水凝胶进行了大量研究;然而,大多数粘附型水凝胶的机械特性较弱、粘附性短暂、生物相容性差且拉伸强度低。我们在此报告的是一种双组分(BSA-明胶)蛋白质溶液与四(羟甲基)氯化磷(THPC)交联形成的新型水凝胶。与传统的粘合性水凝胶相比,这种水凝胶显示出更强的机械性能,与 L929 细胞具有生物相容性,并且具有最小的侵入性注射性。这种粘合水凝胶具有相当高的拉伸强度(73.33 ± 11.54 KPa)和无故障压缩机械性能(75% 应变时为 173 KPa)。此外,这种水凝胶的最大组织粘附强度可达 18.29 ± 2.22 千帕,明显高于纤维蛋白胶。细胞存活率为 97.09 ± 6.07%,表明这些水凝胶对 L929 无毒。在生理 pH 和 37 °C 条件下,BSA-明胶水凝胶的最快凝胶时间为 1.25 ± 0.17 分钟。因此,这项新研究成果可作为一种组织粘合水凝胶应用于生物医学领域。
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引用次数: 0
Nanomaterial-functionalized electrospun scaffolds for tissue engineering. 用于组织工程的纳米材料功能化电纺支架。
IF 3.6 4区 医学 Q2 ENGINEERING, BIOMEDICAL Pub Date : 2024-09-11 DOI: 10.1080/09205063.2024.2399909
Kilole Tesfaye Chaka,Kai Cao,Tamrat Tesfaye,Xiaohong Qin
Tissue engineering has emerged as a biological alternative aimed at sustaining, rehabilitating, or enhancing the functionality of tissues that have experienced partial or complete loss of their operational capabilities. The distinctive characteristics of electrospun nanofibrous structures, such as their elevated surface-area-to-volume ratio, specific pore sizes, and fine fiber diameters, make them suitable as effective scaffolds in tissue engineering, capable of mimicking the functions of the targeted tissue. However, electrospun nanofibers, whether derived from natural or synthetic polymers or their combinations, often fall short of replicating the multifunctional attributes of the extracellular matrix (ECM). To address this, nanomaterials (NMs) are integrated into the electrospun polymeric matrix through various functionalization techniques to enhance their multifunctional properties. Incorporation of NMs into electrospun nanofibrous scaffolds imparts unique features, including a high surface area, superior mechanical properties, compositional variety, structural adaptability, exceptional porosity, and enhanced capabilities for promoting cell migration and proliferation. This review provides a comprehensive overview of the various types of NMs, the methodologies used for their integration into electrospun nanofibrous scaffolds, and the recent advancements in NM-functionalized electrospun nanofibrous scaffolds aimed at regenerating bone, cardiac, cartilage, nerve, and vascular tissues. Moreover, the main challenges, limitations, and prospects in electrospun nanofibrous scaffolds are elaborated.
组织工程已成为一种生物替代方法,旨在维持、恢复或增强部分或完全丧失功能的组织的功能。电纺纳米纤维结构具有独特的特性,如较高的表面积-体积比、特定的孔径和细纤维直径,因此适合作为组织工程中的有效支架,能够模拟目标组织的功能。然而,电纺纳米纤维,无论是从天然或合成聚合物或其组合中提取,往往都无法复制细胞外基质(ECM)的多功能属性。为了解决这个问题,人们通过各种功能化技术将纳米材料(NMs)整合到电纺聚合物基质中,以增强其多功能特性。将纳米材料融入电纺纳米纤维支架具有独特的功能,包括高表面积、优异的机械性能、成分多样性、结构适应性、优异的多孔性以及促进细胞迁移和增殖的更强能力。本综述全面概述了各种类型的 NM、将 NM 集成到电纺纳米纤维支架中的方法,以及 NM 功能化电纺纳米纤维支架在再生骨、心脏、软骨、神经和血管组织方面的最新进展。此外,还阐述了电纺纳米纤维支架面临的主要挑战、局限性和前景。
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引用次数: 0
Development of bio-based polymeric blends - a comprehensive review. 生物基聚合物混合物的开发--综述。
IF 3.6 4区 医学 Q2 ENGINEERING, BIOMEDICAL Pub Date : 2024-09-09 DOI: 10.1080/09205063.2024.2394300
Jaya Maitra,Nikita Bhardwaj
The current impetus to develop bio-based polymers for greater sustainability and lower carbon footprint is necessitated due to the alarming depletion of fossil resources, concurrent global warming, and related environmental issues. This article reviews the development of polymeric blends based on bio-based polymers. The focus on bio-based polymers is due to their greater 'Sustainability factor' as they are derived from renewable resources. The article delves into the synthesis of both conventional and highly biodegradable bio-based polymers, each crafted from feedstocks derived from nature's bounty. What sets this work apart is the exploration of blending existing bio-based polymers, culminating in the birth of entirely new materials. This review provides a comprehensive overview of the recent advancements in the development of bio-based polymeric blends, covering their synthesis, properties, applications, and potential contributions to a more sustainable future. Despite their potential benefits, bio-based materials face obstacles such as miscibility, processability issues and disparities in physical properties compared to conventional counterparts. The paper also discusses significance of compatibilizers, additives and future directions for the further advancement of these bio-based blends. While bio-based polymer blends hold promise for environmentally benign applications, many are still in the research phase. Ongoing research and technological innovations are driving the evolution of these blends as viable alternatives, but continued efforts are needed to ensure their successful integration into mainstream industrial practices. Concerted efforts from both researchers and industry stakeholders are essential to realize the full potential of bio-based polymers and accelerate their adoption on a global scale.
由于化石资源的耗竭令人担忧、全球变暖以及相关的环境问题,目前有必要开发生物基聚合物,以提高可持续性并降低碳足迹。本文回顾了基于生物基聚合物的聚合物混合物的开发情况。之所以关注生物基聚合物,是因为它们从可再生资源中提取,具有更高的 "可持续性因素"。文章深入探讨了传统生物基聚合物和高生物降解性生物基聚合物的合成,每种聚合物都是从大自然的恩赐中提取的原料。这项工作的与众不同之处在于对现有生物基聚合物混合的探索,最终诞生了全新的材料。本综述全面概述了生物基聚合物混合物开发的最新进展,涵盖其合成、特性、应用以及对更可持续未来的潜在贡献。尽管生物基材料具有潜在的益处,但与传统材料相比,它们仍面临着混溶性、加工性问题以及物理性质差异等障碍。本文还讨论了相容剂、添加剂的重要性,以及进一步促进这些生物基共聚物发展的未来方向。虽然生物基聚合物共混物有望实现无害环境的应用,但许多生物基聚合物共混物仍处于研究阶段。正在进行的研究和技术创新正在推动这些共混物发展成为可行的替代品,但仍需继续努力,以确保它们成功融入主流工业实践。要充分发挥生物基聚合物的潜力并加快其在全球范围内的应用,研究人员和行业利益相关者的共同努力至关重要。
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引用次数: 0
Current strategic arsenal and advances in nose to brain nanotheranostics for therapeutic intervention of glioblastoma multiforme. 目前用于治疗多形性胶质母细胞瘤的鼻脑纳米otheranostics的战略武器库和进展。
IF 3.6 4区 医学 Q2 ENGINEERING, BIOMEDICAL Pub Date : 2024-09-09 DOI: 10.1080/09205063.2024.2396721
Ankit Kumar,Rahul Shukla
The fight against Glioblastoma multiforme (GBM) is ongoing and the long-term outlook for GBM remains challenging due to low prognosis but every breakthrough brings us closer to improving patient outcomes. Significant hurdles in GBM are heterogeneity, fortified tumor location, and blood-brain barrier (BBB), hindering adequate drug concentrations within functioning brain regions, thus leading to low survival rates. The nasal passageway has become an appealing location to commence the course of cancer therapy. Utilization of the nose-to-brain (N2B) route for drug delivery takes a sidestep from the BBB to allow therapeutics to directly access the central nervous system (CNS) and enhance drug localization in the vicinity of the tumor. This comprehensive review provides insights into pertinent anatomy and cellular organization of the nasal cavity, present-day diagnostic tools, intracranial invasive therapies, and advancements in intranasal (IN) therapies in GBM models for better clinical outcomes. Also, this review highlights groundbreaking carriers and delivery techniques that could revolutionize GBM management such as biomimetics, image guiding-drug delivery, and photodynamic and photothermal therapies for GBM management.
抗击多形性胶质母细胞瘤(GBM)的斗争仍在继续,由于预后较低,GBM 的长期前景仍然充满挑战,但每一次突破都让我们离改善患者预后更近一步。多形性脑胶质母细胞瘤(GBM)的主要障碍是异质性、肿瘤位置强化和血脑屏障(BBB),这阻碍了药物在脑功能区的充分浓度,从而导致低存活率。鼻腔通道已成为癌症治疗过程中一个颇具吸引力的起始点。利用鼻-脑(N2B)途径给药可避开 BBB,使治疗药物直接进入中枢神经系统(CNS),并增强药物在肿瘤附近的定位。这篇综合性综述深入介绍了鼻腔的相关解剖结构和细胞组织、当今的诊断工具、颅内有创疗法以及在 GBM 模型中采用鼻内疗法以获得更好临床效果的进展。此外,本综述还重点介绍了可彻底改变 GBM 治疗的突破性载体和给药技术,如生物仿生学、图像引导给药以及用于 GBM 治疗的光动力和光热疗法。
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引用次数: 0
Unleashing the power of silk-based proteins as biomaterials for cutting-edge drug delivery: a comprehensive review. 释放丝基蛋白质作为生物材料在尖端药物输送方面的能量:综合综述。
IF 3.6 4区 医学 Q2 ENGINEERING, BIOMEDICAL Pub Date : 2024-09-04 DOI: 10.1080/09205063.2024.2397215
Vishal Kumar Parida, Kavita, Rashmi Arora, Teenu Sharma

Silk proteins, viz., sericin, fibroin and their modified forms etc., have been thoroughly researched as natural biopolymers for the development of varied nanomaterials exhibiting diverse biomedical applications. The silk proteins are extracted from the cocoons by degumming and treatment with soaps, followed by dissolution and dialysis against water. These proteins exhibit distinct mechanical and physicochemical characteristics including biocompatibility, controlled biodegradability, self-assembling traits, chemical modifiability, and adaptability, thus making it an ideal drug delivery vehicle. In this regard, silk protein-derived drug delivery systems have been reported as efficient carrier to encapsulate and stabilize the wide variety of pharmacological molecules, enzymes, proteins, vaccines, and even DNA, allowing them to remain active for a longer period of time. Further, different delivery carriers researched employing these proteins for multitude of applications include hydrogels, sponges, fibres, scaffolds and particulate delivery systems. Additionally, the chemical modification of silk proteins has further opened avenues for development of other modified silk proteins with improved physicochemical traits and hence exhibiting enormous potential in development of varied bioenhanced carrier systems. The current article thus provides the holistic information of characteristics, types of silk protein-based delivery carriers, and their fabrication techniques, while emphasizing the applications of different silk proteins in biomedicine and drug delivery.

蚕丝蛋白,即丝胶蛋白、纤维蛋白及其改性形式等,作为天然生物聚合物已被深入研究,用于开发具有多种生物医学应用的纳米材料。从蚕茧中提取丝蛋白的方法是脱胶和用皂处理,然后用水溶解和透析。这些蛋白质具有独特的机械和物理化学特性,包括生物相容性、可控生物降解性、自组装特性、化学可修改性和适应性,因此是理想的药物输送载体。在这方面,据报道,丝蛋白衍生药物递送系统是封装和稳定各种药理分子、酶、蛋白质、疫苗甚至 DNA 的高效载体,可使其在较长时间内保持活性。此外,利用这些蛋白质研究出了多种不同的输送载体,包括水凝胶、海绵、纤维、支架和微粒输送系统。此外,对蚕丝蛋白的化学修饰还为开发具有更好理化特性的其他改性蚕丝蛋白开辟了道路,从而在开发各种生物增强载体系统方面展现出巨大的潜力。因此,本文全面介绍了基于丝蛋白的递送载体的特点、类型及其制造技术,同时强调了不同丝蛋白在生物医学和药物递送方面的应用。
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引用次数: 0
Effect of graphene oxide in an injectable hydrogel on the osteogenic differentiation of mesenchymal stem cells. 可注射水凝胶中的氧化石墨烯对间充质干细胞成骨分化的影响
IF 3.6 4区 医学 Q2 ENGINEERING, BIOMEDICAL Pub Date : 2024-09-03 DOI: 10.1080/09205063.2024.2397211
Yaru Zhu, Tao Wang, Zhen He, Mingchong Liu, Chunfang Zhang, Guixin Sun, Qidong Wang

Graphene oxide (GO) is widely used in bone tissue engineering due to its good biocompatibility and proliferation, and is often used in combination with other hydrogels, which not only reduces the cytotoxicity of GO but also improves the mechanical properties of the hydrogels. We developed injectable carboxymethyl chitosan (CMC)/hydroxyethyl cellulose (HEC)/β-tricalcium phosphate (β-TCP)/GO hydrogel via hydrogen bonding cross-linked between (CMC) and (HEC), also, calcium cross-linked by β-TCP was also involved to further improvement of mechanical properties of the hydrogel, and incorporate different concentration of GO in these hydrogel systems. The characterization of the novel hydrogel was tested by scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FT-IR). The swelling ratio and mechanical properties were investigated, the results showed that the addition of GO was able to reduce the swelling rate of hydrogels and improve their mechanical properties, with the best effect in the case of 1 mg/mL content. In vivo experimental studies showed that the hydrogel significantly promoted the osteogenic differentiation of rat bone marrow mesenchymal stem cells (rBMSCs), with the best effect at a concentration of 2 mg/mL. The results of the cellular experiments were similar. Therefore, the novel environment-friendly and non-toxic injectable CMC/HEC/β-TCP/GO hydrogel system may have potential applications in bone tissue engineering.

氧化石墨烯(GO)因其良好的生物相容性和增殖性被广泛应用于骨组织工程中,通常与其他水凝胶结合使用,不仅能降低 GO 的细胞毒性,还能改善水凝胶的机械性能。我们开发了可注射的羧甲基壳聚糖(CMC)/羟乙基纤维素(HEC)/β-磷酸三钙(β-TCP)/GO 水凝胶,通过(CMC)和(HEC)之间的氢键交联,β-TCP 交联的钙也参与其中,进一步改善了水凝胶的机械性能,并在这些水凝胶体系中加入了不同浓度的 GO。扫描电子显微镜(SEM)和傅立叶变换红外光谱(FT-IR)测试了新型水凝胶的特性。结果表明,添加 GO 能够降低水凝胶的溶胀率并改善其机械性能,其中以 1 mg/mL 的添加量效果最佳。体内实验研究表明,水凝胶能显著促进大鼠骨髓间充质干细胞(rBMSCs)的成骨分化,其中 2 mg/mL 浓度的效果最佳。细胞实验的结果也类似。因此,新型环保、无毒的可注射 CMC/HEC/β-TCP/GO 水凝胶系统在骨组织工程中具有潜在的应用前景。
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引用次数: 0
Dialysis treatment, in vitro, and anticoagulation activity of polysulfone-polyacrylamide based-blend membranes: an experimental study. 基于聚砜-聚丙烯酰胺的混合膜的透析处理、体外和抗凝活性:一项实验研究。
IF 3.6 4区 医学 Q2 ENGINEERING, BIOMEDICAL Pub Date : 2024-09-03 DOI: 10.1080/09205063.2024.2398325
Shafiq Uz Zaman, Muhammad Shozab Mehdi

The majority of treatments are performed with polysulfone (PSf) membranes. The main issue of the PSf membrane is its lack of endothelial function, leading to various processes like platelet adhesion, protein adsorption, and thrombus formation when comes in contact with blood. The crucial aspect in the development of hemodialysis (HD) membrane materials is a biocompatibility factor. This study aims to improve the performance and biocompatibility of PSf membranes by utilizing polyethylene glycol (PEG) as a pore-forming agent and polyacrylamide (PAA) as a multifunctional modifying additive owing to its non-toxic, and biocompatible nature. The formulated HD membranes were characterized using Fourier Transform Infrared (FTIR) spectroscopy, Scanning Electron Microscopy (SEM), and Water Contact Angle (WCA) measurements. The biocompatibility results showed that PSf-PAA membranes reduced the adsorption of bovine serum albumin (BSA) protein, hemolysis process, thrombus formation, and platelets adhesion with improved in vitro cytotoxicity results as well as anticoagulation performance. The protein separation results showed that PSf-PAA membranes were able to reject 90.1% and 92.8% of BSA protein. The membranes also showed better uremic waste clearance for urea (76.56% and 78.24%) and creatinine (73.71% and 79.13%) solutes, respectively. It is conceivable that these modern-age membranes may surpass conventional HD membranes regarding both efficiency and effectiveness.

大多数治疗都使用聚砜(PSf)膜。PSf 膜的主要问题是缺乏内皮功能,与血液接触时会导致各种过程,如血小板粘附、蛋白质吸附和血栓形成。开发血液透析(HD)膜材料的关键是生物相容性因素。本研究旨在利用聚乙二醇(PEG)作为孔隙形成剂,聚丙烯酰胺(PAA)作为多功能改性添加剂,改善 PSf 膜的性能和生物相容性。利用傅立叶变换红外光谱(FTIR)、扫描电子显微镜(SEM)和水接触角(WCA)测量法对配制的高清膜进行了表征。生物相容性结果表明,PSf-PAA 膜减少了对牛血清白蛋白(BSA)蛋白质的吸附、溶血过程、血栓形成和血小板粘附,提高了体外细胞毒性结果和抗凝性能。蛋白质分离结果表明,PSf-PAA 膜能剔除 90.1% 和 92.8% 的 BSA 蛋白。这些膜对尿素(76.56% 和 78.24%)和肌酐(73.71% 和 79.13%)溶质的清除率也更高。可以想象,这些现代膜的效率和效果可能会超过传统的 HD 膜。
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引用次数: 0
Targeting SARS-CoV2 spike glycoprotein: molecular insights into phytocompounds binding interactions - in-silico molecular docking. 以 SARS-CoV2 穗状糖蛋白为靶标:植物化合物结合相互作用的分子洞察力 - 室内分子对接。
IF 3.6 4区 医学 Q2 ENGINEERING, BIOMEDICAL Pub Date : 2024-09-03 DOI: 10.1080/09205063.2024.2399395
K Saravanan, S Elavarasi, G Revathi, P Karuppannan, M Ashokkumar, C Muthusamy, A Ram Kumar

This study utilized small molecular characterization and docking study to evaluate the binding affinity of seven antiviral phytocompounds with the SARS CoV-2 variants (SARS-CoV-2 Spike Glycoprotein, SARS-CoV-2 Spike Protein Variant in 1-RBD, Alpha Variant SARS-CoV2- Spike Protein). The results revealed that five of seven compounds, possesses excellent drug lead property reveled through in-silico ADMET analysis. In addition, six of seven except D-Glucosamine, exhibited excellent binding affinity. Six ligands possess significant binding affinity towards SARS-CoV-2 variants 6VXX, 7LWV and 7R13, which is certainly greater than Remdesivir. Fagaronine found to be the best drug candidate against SARS-CoV-2 variants, It was found that -7.4, -5.6 and -6.3 is the docking score respectively. Aranotin, Beta aescin, Gliotoxin, and Fagaronine formed hydrogen bonds with specific amino acids and exhibited significant binding interactions. These findings suggest that these phytocompounds could be promising candidates for developing antiviral therapies against SARS-CoV-2. Moreover, the study underscores the importance of molecular docking in understanding protein-ligand interactions and its role in drug discovery. The documented pharmacological properties of these compounds in the literature further support their potential therapeutic relevance in various diseases.

本研究利用小分子表征和对接研究评估了七种抗病毒植物化合物与 SARS CoV-2 变异体(SARS-CoV-2 Spike 糖蛋白、SARS-CoV-2 Spike 蛋白 1-RBD 变异体、SARS-CoV-2 Spike 蛋白 Alpha 变异体)的结合亲和力。研究结果表明,通过分子内 ADMET 分析,7 个化合物中有 5 个具有极佳的药物先导性。此外,除 D-氨基葡萄糖外,其他七种化合物中有六种表现出极佳的结合亲和力。六种配体对 SARS-CoV-2 变体 6VXX、7LWV 和 7R13 具有明显的结合亲和力,其结合亲和力肯定高于雷米地西韦。结果发现,Fagaronine 是抗 SARS-CoV-2 变异株的最佳候选药物,其对接得分分别为-7.4、-5.6 和-6.3。Aranotin、Beta aescin、Gliotoxin 和 Fagaronine 与特定氨基酸形成氢键,并表现出显著的结合相互作用。这些研究结果表明,这些植物化合物有望成为开发 SARS-CoV-2 抗病毒疗法的候选化合物。此外,这项研究还强调了分子对接在理解蛋白质-配体相互作用方面的重要性及其在药物发现中的作用。文献中记载的这些化合物的药理特性进一步证明了它们对各种疾病的潜在治疗作用。
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引用次数: 0
期刊
Journal of Biomaterials Science, Polymer Edition
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