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Natural Antimicrobial as an Alternative Food Preservatives in the Dietary Systems of Human and Livestock 天然抗菌剂作为人类和牲畜膳食系统中的替代食品防腐剂
Pub Date : 2022-09-18 DOI: 10.33263/lianbs124.119
Natural antimicrobials have gained immense importance for researchers in the food industries in preserving food and increasing its shelf life by inhibiting the growth of microbial cells or by killing them. It can be an alternative to the critical complications of microbial resistance and combat various side effects of some synthetic compounds, alongside fulfilling the food safety requirements. In contrast to the benefits imparted by the natural preservatives, the emerging negative impacts exerted by synthetic preservatives on the health and safety of consumers are leading to the obligation for more systematic research to assess the toxicity and mechanism of action of bio preservatives. This review summarizes the natural antimicrobials that can be utilized in dietary systems of humans and livestock, their mechanism of action, various factors affecting their antimicrobial activity, and their incorporation into nano-system to ensure their safety and efficacy.
对于食品行业的研究人员来说,天然抗菌剂通过抑制微生物细胞的生长或杀死它们来保存食品和延长其保质期,已经变得非常重要。它可以替代微生物耐药性的关键并发症,并对抗某些合成化合物的各种副作用,同时满足食品安全要求。与天然防腐剂带来的好处相比,合成防腐剂对消费者健康和安全的负面影响正在出现,因此有必要进行更系统的研究,以评估生物防腐剂的毒性和作用机制。本文综述了可用于人类和牲畜饲料系统的天然抗菌剂及其作用机制、影响其抗菌活性的各种因素,以及将其纳入纳米系统以确保其安全性和有效性。
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引用次数: 0
Pharmacotherapeutic and Computational Approaches for Biopharmaceutical Considerations towards Drug Development and Delivery against COVID-19 针对COVID-19药物开发和交付的生物制药考虑的药物治疗和计算方法
Pub Date : 2022-09-18 DOI: 10.33263/lianbs124.128
P. Kesharwani, D. Deepika, K. Bharti, A. Jain, S. Sharma, B. Mishra, V. Kumar
The novel coronavirus disease (COVID-19), which is caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), affected millions of people worldwide at an alarming rate. Moreover, the development of vaccines is still hope, but its camouflage mutations during transmission are still a challenge. In the dire condition of this pandemic, drug repurposing with the exploitation of computational modeling has become the cynosure to repurpose the already existing drugs such as remdesivir, Favipiravir, dexamethasone, and other drugs at clinical levels. Furthermore, their safety and efficacy against COVID-19 remain a challenge in different age groups and populations with pre-existing conditions like heart disease, hepatic and renal impairment, pregnancy, and immunocompromised states. Moreover, computational modeling allows studying physiological and biochemical parameters on drug transport, delivery, and therapeutic efficacy of dosage forms. This review explicitly provides a comprehensive account of the challenges and opportunities for developing physiologically based pharmacokinetic models (PBPK) and pharmacodynamic(PD) models to establish a therapeutic dosage regimen based on dose selection, safety, and efficacy. We also highlight the pharmacologic targeting strategies for ACE receptors, toxicity concerns, combination therapy, and drug-drug interactions for different repurposed drugs against COVID-19. In dreadful scenarios, PBPK and PD models hold promise for human PK and dose prediction in COVID-19, along with paving new horizons to improve the therapeutic as well as immuno-therapeutic efficacy using nano-drug delivery approaches, computer-aided drug design (CADD), and speed up clinical trials with a better understanding of quantitative in vitro to in vivo extrapolation (QIVIE) and established PK data.
由严重急性呼吸系统综合征冠状病毒2 (SARS-CoV-2)引起的新型冠状病毒病(COVID-19)以惊人的速度影响了全世界数百万人。此外,疫苗的开发仍有希望,但其在传播过程中的伪装突变仍然是一个挑战。在这次大流行的可怕情况下,利用计算模型进行药物再利用已成为在临床水平上对现有药物(如瑞德西韦、法匹拉韦、地塞米松和其他药物)进行再利用的手段。此外,在不同年龄组和患有心脏病、肝肾损害、妊娠和免疫功能低下等疾病的人群中,它们对COVID-19的安全性和有效性仍然是一个挑战。此外,计算建模可以研究药物运输、递送和剂型治疗效果的生理生化参数。这篇综述明确地全面阐述了基于生理的药代动力学模型(PBPK)和药效学模型(PD)的挑战和机遇,以建立基于剂量选择、安全性和有效性的治疗剂量方案。我们还强调了针对ACE受体的药理学靶向策略、毒性问题、联合治疗以及不同靶向药物对抗COVID-19的药物-药物相互作用。在可怕的情况下,PBPK和PD模型有望预测COVID-19的人体PK和剂量,同时为利用纳米药物递送方法、计算机辅助药物设计(CADD)提高治疗和免疫治疗效果开辟了新的视野,并通过更好地理解体外到体内的定量外推(QIVIE)和已建立的PK数据加快临床试验。
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引用次数: 1
Nursing Practices Towards Prevention of Medication Errors: A Systematic Review and Meta-Analysis 预防用药错误的护理实践:系统回顾和荟萃分析
Pub Date : 2022-09-18 DOI: 10.33263/lianbs124.124
This meta-analysis aimed to systematically examine the articles about the practices of nurses to prevent medication errors in hospitals. This research was conducted using the meta-analysis method, one of the quantitative research methods. With the determined keywords, Google Scholar, Web of Science, Scopus, Science Direct, EKUAL, Google Academic EBSCOhost, MEDLINE, CINAHL, PUBMED, and ULAKBİM TIP electronic databases were scanned. Thirty-two full-text articles published in peer-reviewed journals between 2000-2020 were included in the study. The study’s effect size and publication bias included in the meta-analysis were calculated using the CMA 3 (Comprehensive Meta-Analysis) program. The total sample number of the studies included in the analysis is 3894. According to the random-effects model, the overall effect size between medication errors and nursing practices to prevent medication errors was statistically significant, with a value of 1,949 (G.A; 1,463-2,519; p <0.05). As a result of this meta-analysis, it was determined that continuing education, technology-based practices, and mixed methods (correct principles in drug administration, prevention of interruptions and divisions, policies and procedures) effectively prevent medication administration errors in the hospital.
本荟萃分析旨在系统地检查有关护士在医院预防用药错误的做法的文章。本研究采用定量研究方法之一的meta分析方法进行。根据确定的关键词,扫描谷歌Scholar、Web of Science、Scopus、Science Direct、EKUAL、谷歌Academic EBSCOhost、MEDLINE、CINAHL、PUBMED、ULAKBİM TIP等电子数据库。2000年至2020年间发表在同行评议期刊上的32篇全文文章被纳入研究。meta分析中纳入的研究效应量和发表偏倚采用CMA 3(综合meta分析)程序计算。纳入分析的研究总样本数为3894。根据随机效应模型,用药错误与护理措施预防用药错误之间的总体效应量具有统计学意义,其值为1,949 (G.A;1463 - 2519;p < 0.05)。通过这一荟萃分析,我们确定继续教育、以技术为基础的实践和混合方法(正确的给药原则、防止中断和分割、政策和程序)有效地预防了医院的给药错误。
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引用次数: 0
Thermodynamic-Acoustic Studies of Mixture Vitamin B7 with Glycols at Different Temperatures 不同温度下维生素B7与乙二醇混合物的热力学-声学研究
Pub Date : 2022-09-18 DOI: 10.33263/lianbs124.133
M. Lamba, N. Chakraborty, K. C. Juglan, Harsh Kumar
The density and speed of sound for an aqueous solution containing Vitamin B7 (biotin) at variant temperatures from (288.15K to 318.15K) and (0.000 to 0.003) mol.kg-1 concentration has been measured with Anton Paar DSA 5000 M at constant pressure 0.1 MPa. The observed data were used to derive various thermo-acoustic parameters. Acoustic impedance, adiabatic compressibility, Vander Waal’s constant, Rao’s constant, Wada’s constant, and intermolecular free length were determined by the obtained speed of sound and density values. In addition, the ternary mixture of biotin and glycols (Propylene glycol and hexylene glycol) shows the intermolecular (solute-solvent) interactions inside the liquid solution.
用Anton Paar DSA 5000 M测量了含维生素B7(生物素)水溶液在(288.15K ~ 318.15K)和(0.000 ~ 0.003)mol.kg-1浓度下的密度和声速。利用观测数据推导出各种热声参数。声阻抗、绝热压缩系数、范德瓦尔常数、拉奥常数、瓦达常数和分子间自由长度由得到的声速和密度值决定。此外,生物素和乙二醇(丙二醇和己二醇)的三元混合物在液体溶液中显示出分子间(溶质-溶剂)相互作用。
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引用次数: 0
A Review on Bioinformatics Tools for Transcriptomics NGS Data Analysis 转录组学NGS数据分析的生物信息学工具综述
Pub Date : 2022-09-18 DOI: 10.33263/lianbs124.130
With the advancement in technologies, there has been a great expansion of data generation in various fields and disciples, including genomics, pharmacogenomics, epigenomics, transcriptomics, metabolomics, and proteomics. Regarding sequencing technologies, the advent of next-generation sequencing methods has enabled researchers to analyze the entire genome or multiple genes simultaneously for mutation detection or gene expression studies. For this reason, the demand for appropriate bioinformatics tools and pipelines for NGS Data Analysis to conduct precision analysis with a high level of accuracy is very high. The field of transcriptomics requires analysis of the entire RNA transcripts that define the transcriptional state of the cells. The analysis of the entire transcriptome is challenging and is supplemented with the utilization of various bioinformatic tools. This review provides an overview of the - generation sequencing and analysis in various fields like genomics and epigenomics, with a special focus on transcriptome analysis.
随着技术的进步,各个领域和学科的数据生成得到了极大的扩展,包括基因组学、药物基因组学、表观基因组学、转录组学、代谢组学和蛋白质组学。在测序技术方面,下一代测序方法的出现使研究人员能够同时分析整个基因组或多个基因,以进行突变检测或基因表达研究。因此,对适当的生物信息学工具和管道的需求非常高,用于NGS数据分析以进行高精度的精确分析。转录组学领域需要对定义细胞转录状态的整个RNA转录物进行分析。整个转录组的分析是具有挑战性的,并辅以各种生物信息学工具的利用。本文综述了基因组学和表观基因组学等不同领域的代测序和分析,重点介绍了转录组分析。
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引用次数: 0
Mpro Inhibition: A comparative In silico Therapeutics from Native Indian Plant Species 抑制Mpro:来自印度本土植物的比较硅疗法
Pub Date : 2022-09-17 DOI: 10.33263/lianbs124.099
Apoorva, P. Yadav, P. Singh, S. Jha
One of the biggest healthcare threats of this century is COVID – 19, undoubtedly. It has caused millions of deaths and raised alerts in the healthcare domain. This study focuses on the importance of 10 native Indian plant species and the phytochemicals obtained from them as a potential inhibitor to the Main protease enzyme of SARS CoV -2. About 26 phytochemicals were shortlisted for the same from the selected plants. Molecular docking was used to analyze the binding affinity of the phytochemicals in the active pocket of the Main protease enzyme to assess their effectiveness. The docking scores resulted in the selection of four compounds being more favorable than the native inhibitor N3, namely Quercetin, Withaferin A, Sominone, and Nimbin, with their binding energies being -8.42, -9.21, -9.95, -8.88 kcal/mol respectively. Furthermore, these four were further analyzed for their bioavailability scores. The studies showed that Sominone, Withaferin A are more potent inhibitors to Mpro of the SARS CoV-2 in all four. Thus further in Vitro studies can be done accordingly for the same.
毫无疑问,本世纪最大的医疗威胁之一是COVID - 19。它已造成数百万人死亡,并在医疗保健领域引发了警报。本研究的重点是10种印度本土植物物种的重要性,以及从这些植物中获得的植物化学物质作为SARS CoV -2主要蛋白酶的潜在抑制剂。从所选植物中筛选出26种相同的植物化学物质。通过分子对接分析主要蛋白酶活性袋内植物化学物质的结合亲和力,评价其有效性。对接评分结果表明,槲皮素、Withaferin A、Sominone和Nimbin这4个化合物的结合能分别为-8.42、-9.21、-9.95、-8.88 kcal/mol,比天然抑制剂N3更有利。进一步分析了这四种植物的生物利用度评分。研究表明,在所有四种情况下,Sominone, Withaferin A是SARS CoV-2的Mpro的更有效抑制剂。因此,进一步的体外研究可以相应地进行。
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引用次数: 0
Mathematic Properties and their Chemical Applicabilities of Atom Valency Block Indices 原子价块指数的数学性质及其化学应用
Pub Date : 2022-09-17 DOI: 10.33263/lianbs124.103
The Atom Valency Block (AVB) Indices of an undirected, finite, simple, connected molecular graph/graph G = (V, E) are defined as〖 AVB〗_1 (G) ∑_(u∈V)▒〖[d(u)b(u)] 〗and〖 AVB〗_2 (G)=∑_(u∈V)▒〖[d(u)×b(u)]〗, where the valency (or degree) d(u) of an atom (or vertex) u is the number of atoms adjacent to u, and the block number b(u) of an atom (vertex) u represents the number of blocks of G containing u (the maximal non-separable subgraph of a graph is said to be the block of that graph). In this article, we initiate these new molecular descriptors to compute exact values of separable and non-separable graph and found some inequalities in terms of the order, size, and minimum/maximum valency. Also, we have made comparisons concerning other pre-existing atom valency-based descriptors. In addition, we present the statistical analysis of some chemical trees via scatter plotted correlations between AVB indices and other well-known atom valency-based descriptors.
原子的化合价块(真空断路)指数无向的,有限的,简单,连接分子图/图G = (V, E)被定义为美国真空断路〗_1 (G)∑_ (u∈V)美国▒[d (u) b (u)]美国和真空断路〗_2 (G) =∑_ (u∈V)美国▒[d (u)×b (u)]〗,价(或学位)的d (u)的原子(或顶点)u是相邻原子的数量,和原子的批号b (u)(顶点)u代表G包含块的数量(最大不可分离的子图的图是图的块)。在本文中,我们提出了这些新的分子描述符来计算可分和不可分图的精确值,并在顺序、大小和最小/最大价方面发现了一些不等式。此外,我们还对其他已有的基于原子价的描述符进行了比较。此外,我们还通过AVB指数与其他已知的基于原子价的描述符之间的散点图相关性,对一些化学树进行了统计分析。
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引用次数: 0
Novel O-linked β-N-acetylglucosamine Transferase (OGT) Inhibitors from Tinospora Cordifolia: An In-Silico Approach 新型o -连接β- n-乙酰氨基葡萄糖转移酶(OGT)抑制剂来自Tinospora Cordifolia:一种计算机方法
Pub Date : 2022-09-17 DOI: 10.33263/lianbs124.097
Diabetes mellitus (DM) characterized by excess blood sugar, is a multifactorial metabolic disease that has reached epidemic proportions worldwide. The International Diabetes Foundation (IDF) estimates that approximately 537 million adults will be living with DM in 2021. The total number of people living with DM is projected to rise to 783 million by 2045. According to the absolute or relative lack of insulin signaling, DM is classified into two major forms: Type 1 diabetes mellitus (T1DM) and Type 2 diabetes mellitus (T2DM). One of the proteins that play a major role in DM is O-linked β-N-acetylglucosamine Transferase (OGT) a glucose-dependent human enzyme that catalyzes the addition of UDP-GlcNAc on the serine and threonine residues of nuclear and cytoplasmic proteins. While this protein plays a vital role in cell cycle regulation and glucose metabolism, an aberration of it could be lethal, and up until now, there have been no reports of small molecule and potent plant-based inhibitors of OGT. In this study, we put molecular docking, ADME/Tox analysis, and MM/GBSA studies to use in identifying novel potent inhibitors of OGT from compounds of Tinospora cordifolia, and we compare our results with that of an established OGT inhibitor, OSMI-1. Based on docking scores and ligand-protein interactions, we predict four (4) top compounds; Apigenin, Bergenin, Diosmetin, and Syringin. In conclusion, the results from the ADME/Tox analysis have led to the prediction that a T. cordifolia compound (Bergenin) has better drug-like characteristics than the standard compound, OSMI-1.
糖尿病(DM)是一种以血糖过高为特征的多因素代谢性疾病,在世界范围内已达到流行程度。国际糖尿病基金会(IDF)估计,到2021年,约有5.37亿成年人将患有糖尿病。到2045年,糖尿病患者总数预计将增加到7.83亿人。根据胰岛素信号的绝对或相对缺乏,糖尿病分为两种主要形式:1型糖尿病(T1DM)和2型糖尿病(T2DM)。在糖尿病中起主要作用的蛋白质之一是O-linked β-N-acetylglucosamine Transferase (OGT),这是一种葡萄糖依赖的人类酶,可催化在细胞核和细胞质蛋白的丝氨酸和苏氨酸残基上添加UDP-GlcNAc。虽然这种蛋白在细胞周期调节和葡萄糖代谢中起着至关重要的作用,但它的异常可能是致命的,到目前为止,还没有关于小分子和有效的植物基OGT抑制剂的报道。在这项研究中,我们利用分子对接、ADME/Tox分析和MM/GBSA研究从Tinospora cordifolia化合物中鉴定出新的有效的OGT抑制剂,并将我们的结果与已建立的OGT抑制剂OSMI-1的结果进行比较。基于对接分数和配体-蛋白相互作用,我们预测了4个顶级化合物;芹菜素,山白菜素,薯蓣皂苷和丁香素。综上所述,ADME/Tox分析结果表明,与标准化合物OSMI-1相比,T. cordifolia化合物(Bergenin)具有更好的药物样特性。
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引用次数: 0
FT-IR, GC-MS, and HPLC Profiling of the Bioactive Constituents of Ethyl Acetate Fraction of Eichhornia crassipes as a Hepatoprotectant 富时红外光谱、气相色谱-质谱和高效液相色谱分析了白颈菊作为肝保护剂的乙酸乙酯部分的生物活性成分
Pub Date : 2022-09-17 DOI: 10.33263/lianbs124.096
The study was carried out to analyze the phytoconstituents of the leaves of the aquatic weed E. crassipes.The plant is being traditionally used as a medicinal plant due to its bioactive constituents, but not many reports are available about E.crassipes as a hepatoprotection. The bioactive substances in the ethyl acetate fraction of the hydroethanolic extract of the leaves of E. crassipes (Mart.) Solms were analyzed by using Fourier Transform Infrared Spectroscopy (FT-IR), Gas Chromatography-Mass Spectrometer (GC-MS), and High-Pressure Liquid Chromatography (HPLC). The IR spectrum of ethyl acetate fraction of the hydroethanolic extract shows 16 peaks corresponding to peaks ranging from wave number 3624.42 cm-1 to 610.40 cm-1. In the GC-MS analysis the existence of 3,5-bis(1,1-dimethylethyl)- (C8H12O3), 7 oxabicyclo [4.1.0] heptan-1-ol, acetate(C14H22O), 7,9-di-tert-butyl-1-oxaspiro (4.5) deca-6,9-diene-2,8-dione, palmitic acid vinyl ester (C18H34O2), phytol (C20H40O) as the major constituent of the extract. The extract was further analyzed by HPLC, indicating the presence of phytol as a major constituent that plays a vital role in hepatoprotection. Thus from the results, it is evident that it contains various bioactive compounds and can recommend as a plant of pharmaceutical importance.
对水草叶草的植物成分进行了分析。由于其生物活性成分,该植物传统上被用作药用植物,但关于其作为肝保护的报道并不多。菝葜叶水乙醇提取物乙酸乙酯部分的生物活性物质。采用傅里叶变换红外光谱(FT-IR)、气相色谱-质谱联用仪(GC-MS)和高压液相色谱(HPLC)对Solms进行分析。水乙醇提取物乙酸乙酯部分的红外光谱显示16个峰,对应波数为3624.42 cm-1 ~ 610.40 cm-1。在GC-MS分析中发现,提取物的主要成分为3,5-二(1,1-二甲基乙基)- (C8H12O3)、7恶沙环[4.1.0]庚烷-1-醇、乙酸(C14H22O)、7,9-二叔丁基-1-恶沙环(4.5)十二-6,9-二烯-2,8-二酮、棕榈酸乙烯酯(C18H34O2)、叶绿醇(C20H40O)。通过HPLC进一步分析,发现叶绿醇是其主要成分,在保肝中起重要作用。因此,从结果来看,很明显,它含有多种生物活性化合物,可以推荐作为一种重要的药用植物。
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引用次数: 1
Fixed-Bed System for Adsorption of Methylene Blue and Congo Red Dyes onto Cuprеssus sempervirens: Single- and Multi-Solute Systems 固定床吸附亚甲基蓝和刚果红染料的研究:单溶质和多溶质系统
Pub Date : 2022-09-17 DOI: 10.33263/lianbs124.106
The Moroccan cypress cone Cupressus Sempervirens from Fez region (Morocco) was studied as an inexpensive biosorbent for the removal of Methylene Blue (MB) and Congo Red (CR) simple and multi-component from aqueous solutions in a fixed-bed system. The surface characteristics of the biosorbent were analyzed by several physicochemical methods. Thе еffеcts of bеd mass (bеd hеight) and initial dyе concеntration on bеd pеrformancе wеrе еvaluatеd and significant bеd pеrformancе was achiеvеd with high bеd mass and low dyе concеntration at thе inlеt. Thе еxpеrimеntal data fit wеll with Thomas and Yoon-Nеlson’s modеl. Based on thе pеrformancе data, it can bе concludеd that the natural Cupressus Sempervirens attested to be beneficial as an inexpensive biosorbent for the removal of textile dyes from aqueous solutions, which is advantageous for the cost-effectiveness of the adsorption treatment.
研究了产自摩洛哥非斯地区的摩洛哥柏树(Cupressus Sempervirens)作为一种廉价的生物吸附剂,在固定床系统中去除单一和多组分的亚甲基蓝(MB)和刚果红(CR)。采用多种物理化学方法对生物吸附剂的表面特性进行了分析。在高质量和低浓度的情况下,实现了高质量和低浓度的高质量和初始浓度对性能的影响。这些数据与Thomas和yoon - nnovellson的模型非常吻合。实验结果表明,天然柏树可作为一种廉价的生物吸附剂用于织物染料的去除,有利于提高吸附处理的成本效益。
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引用次数: 2
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Letters in Applied NanoBioScience
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