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Modeling of Inhibition of Tetrahymena pyriformis growth by Aliphatic Alcohols and Amines pollution of l’ environmental 脂肪醇和胺类污染对梨形四膜虫生长抑制的模拟研究
Pub Date : 2023-06-28 DOI: 10.52711/0974-4150.2023.00031
Fatiha Mebarki, Souhaila Meneceur, N. Ziani, Khadidja Amirat, Abderrhmane Bouafia
To assess the relative toxicity of a mixed series of 21(linear and branched-chain) alcohols and 9 normal aliphatic amines in terms of the 50% inhibitory growth concentration (IGC50) of Tetrahymena Pyriformis, a Quantitative Modeling study know as a Structure-Activity/property/Toxicity Relationship (QSAR/QSPR/QSTR) was conducted (20 training,10 tests). The used least squares LS method has been using MINITAB 16 Software and nom-parametric estimation (least absolute deviation LAD) (robust regression method) has been using Calculation Programs by MATLAB Software. The applied simple linear regression approach is based on theoretical H4p (GETAWAY descriptor) molecular descriptor from DRAGON software The performance of regression is better if the distribution of errors has normal, in this case we use the least squares LS method for statistical analysis. When the data does not have a natural assumption, we move to another method of analysis that is more robust and more frequent for the presence of the points of articulation, which is the least absolut deviation method (LAD). The findings of statistical analysis for the chosen model (QSAR) using simple linear Regression using the least Squares Method were R^2=97.39% ,Q^2=96.69% ,Q_bOOT^2=96.24%,Q_EXT^2=93.91% ,R_adj^2=97.24%, S=0.248 Anderson Darling (AD) test =1.57 >0.752 , symmetry coefficient (ou skeweness) (sk= 2.14>0 ) , flatness coefficient (Kurtosis) (ku=5.75>3) and Jarque and Bera Test (JB= 42.84>5.9942. the results did not follow the normal law (unnormal). The coefficient of determination and the value of standard deviation are both highly sensitive to the presence of aberrant compounds(abnormales), as the R^2value moved from 87, 96 % to 94.18 %, which increased by a value of 6.22% and the value of standard deviation (S) moved from 0.399 to 0.303, it increased by a value of 25 % after removing aberrant compound (abnormalie) are interpreted as better adjustment and they are positively. After removing the aberrant compound, we did not see any change in the lines coefficients, indicatting that the function’s graph is stable, demonstrating the LAD method and increased power, which are unaffected by the presence of aberrant compounds Consequently, which means that the model of one descriptor selected is good and statistically strong, Three influential compounds detected ((one compound of training, two compounds of Test) and important the model and absence of studied sample aberrants compounds.
为了评估21种(线性和支链)醇和9种正常脂肪胺混合系列在梨形四膜虫50%抑制生长浓度(IGC50)方面的相对毒性,进行了一项称为结构-活性/性质/毒性关系(QSAR/QSPR/QSTR)的定量建模研究(20次训练,10次测试)。使用最小二乘LS方法一直使用MINITAB软件和nom-parametric 16估计(最小绝对偏差的小伙子)(稳健回归方法)一直在使用MATLAB软件计算程序。应用的简单线性回归方法是基于DRAGON软件中的理论H4p(逃逸描述符)分子描述符,如果误差分布具有正态性,则回归的性能较好,在这种情况下,我们使用最小二乘LS方法进行统计分析。当数据没有自然假设时,我们转向另一种分析方法,即最小绝对偏差法(least absolute deviation method, LAD),这种方法对于连接点的存在更为稳健和频繁。采用最小二乘法对所选模型(QSAR)进行简单线性回归统计分析的结果为R^2=97.39%,Q^2=96.69%,Q_bOOT^2=96.24%,Q_EXT^2=93.91%,R_adj^2=97.24%, S=0.248安德森达令(AD)检验=1.57 >0.752,对称系数(偏度)(sk= 2.14>),平坦系数(峭度)(ku=5.75>3)和Jarque和Bera检验(JB= 42.84>5.9942)。结果不符合正常规律。测定系数和标准差值对异常化合物(异常)的存在高度敏感,去除异常化合物(异常)后,R^2值从87、96 %移动到94.18%,增加了6.22%,标准差(S)值从0.399移动到0.303,增加了25%,说明调整效果较好,呈正相关。在去除异常化合物后,我们没有看到线系数的任何变化,说明函数图是稳定的,表明LAD方法和功率增加,不受异常化合物的存在影响。因此,这意味着选择的一个描述符的模型是好的,统计上很强。两种化合物的测试)和重要的模型和不存在所研究的样品异常化合物。
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引用次数: 0
Looming another global crisis-Monkeypox: Plan of action for third world countries 迫在眉睫的另一场全球危机——猴痘:第三世界国家行动计划
Pub Date : 2023-06-28 DOI: 10.52711/0974-4150.2023.00035
Dr. Ravi Varala, Sudhakar Madhavedi
Earlier than shielding the entire world from Covid-19, another crisis is looming around the globe due to the Monkeypox virus (MPXV). In recent times, the sudden rise of Monkeypox (MPX) epidemic cases is now a cause of concern for countries around the globe. Globally, the number of new weekly cases fell by 5% from November 14 to November 20, 2022. More than 62,000 confirmed cases have been reported to WHO from 105 countries and territories since the outbreak began few months ago, along with 23 fatalities. The current outbreak primarily affects guys who have sex with other men and is disseminated primarily via sexual contact. "Just because a condition like monkeypox seems manageable does not guarantee it will remain manageable." The poor dissimilation of knowledge about viral zoonosis, disease investigation, and scientific research about MPX outbreaks can deteriorate the current situation into a deep crisis in the near future. Hence, the present case study focuses on the origin, detection, investigation, prevention, and therapeutic measures of MPX disease in the rising situation of cases. In addition, it proposes various public health measures, policy actions to prevent the transmission of the virus, medical support, and scaling up infrastructure, which are the desperate needs of the hour.
在保护全世界免受新冠病毒感染之前,由于猴痘病毒(MPXV),另一场危机正在全球各地逼近。最近,猴痘流行病例的突然增加引起了全球各国的关注。从全球来看,从2022年11月14日至11月20日,每周新增病例数下降了5%。自几个月前疫情爆发以来,105个国家和地区向世卫组织报告了6.2万多例确诊病例,其中23人死亡。目前的疫情主要影响与其他男性发生性行为的男性,并主要通过性接触传播。“仅仅因为像猴痘这样的疾病看起来可控,并不能保证它会一直可控。”对病毒性人畜共患病、疾病调查和关于MPX疫情的科学研究的认识不一致,可能会使目前的情况在不久的将来恶化为一场严重的危机。因此,本案例研究的重点是在病例上升的情况下MPX疾病的起源,检测,调查,预防和治疗措施。此外,它还提出了各种公共卫生措施、防止病毒传播的政策行动、医疗支持和扩大基础设施,这些都是当前迫切需要的。
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引用次数: 0
Estimation and Validation of Finerenone in Dosage Form and in Bulk Drug by Spectrophotometric Method 分光光度法测定芬尼酮剂型和原料药的含量及验证
Pub Date : 2023-06-28 DOI: 10.52711/0974-4150.2023.00033
Husnain Fathima, Mahboob Pasha, Mohamed Khaleel
A simple, sensitive, accurate, rapid and economical Spectrophotometric method was developed for estimation and validation of Finerenone in pure drug and tablet dosage form. The absorbance was measured at 239.8nm using Ethanol as solvent system. It obeyed Beer’s law at the concentration range of 2-14µg/ml with coefficient of correlation (r2) of 0.997. Limit of detection (LOD) was found to be 1.220µg/ml and Limit of quantitation (LOQ) was found to be 5.220µg/ml. The proposed analytical method was validated according to ICH guidelines, yielded good results concerning range, linearity, precision, accuracy, robustness and ruggedness.
建立了一种简便、灵敏、准确、快速、经济的菲尼酮纯药和片剂含量测定和验证方法。以乙醇为溶剂体系,在239.8nm处测定吸光度。在2 ~ 14µg/ml浓度范围内符合比尔定律,相关系数(r2)为0.997。检测限(LOD)为1.220µg/ml,定量限(LOQ)为5.220µg/ml。所提出的分析方法根据ICH指南进行了验证,在范围、线性、精密度、准确度、稳健性和耐用性方面取得了良好的结果。
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引用次数: 0
Density Functional Theory (DFT) Study of Methyl 2-methoxycyclohex-3-ene-1-carboxylate for structure optimization, transition state, vibrational, electronic and PES scan 2-甲氧基环己基-3-烯-1-羧酸甲酯结构优化、过渡态、振动、电子和PES扫描的密度泛函理论(DFT)研究
Pub Date : 2023-06-28 DOI: 10.52711/0974-4150.2023.00034
Koustubh Jagtap, Kiran Zinjurate, R. Ligade, R. Bhondwe
The current investigation is carried out to study stability of Diels-Alder adduct methyl 2-methoxycyclohex-3-ene-1 where (a) and (e) represent axial and equatorial orientation of group .The region-selective mechanism of Diels-Alder reaction between 1-methoxy 1,3butadiene (1) and methyl acrylate (2) to give methyl 2-methoxycyclohex-3-ene-1-carboxylate (3) is studied using Density Functional Theory (DFT). There are three possible stereo-chemical products possible for this reaction such as axial-axial (a,a), equatorial-equatorial (e,e) and axial-equatorial (a,e). Density Functional Theory was carried out to study the optimized molecular structure and the Potential Energy Surface (PES) Scan. The Frontier Molecular Orbital (FMO) energy calculations were carried out and HOMO LUMO energy gap was calculated to analyse the stability and reactivity. The Molecular Electrostatic Potential (MEP) study was carried out to analyse the surface of the molecule. FTIR spectra show the vibrational analysis of molecule.
本文研究了Diels-Alder加合物甲基2-甲氧基环己基-3-烯-1的稳定性,其中(a)和(e)分别代表基团的轴向和赤道取向。利用密度泛函理论(DFT)研究了Diels-Alder与1-甲氧基1,3 -丁二烯(1)和丙烯酸甲酯(2)反应生成甲基2-甲氧基环己基-3-烯-1-羧酸盐(3)的区域选择机理。该反应有三种可能的立体化学产物:轴向-轴向(a,a),赤道-赤道(e,e)和轴向-赤道(a,e)。利用密度泛函理论对优化后的分子结构和势能面扫描进行了研究。进行了前沿分子轨道(FMO)能量计算,计算了HOMO LUMO能隙,分析了其稳定性和反应性。用分子静电势(MEP)研究了分子的表面。FTIR光谱显示了分子的振动分析。
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引用次数: 0
A Novel Route of Synthesis of High Efficiency Pharmaceutical Intermediate and Insecticide Chemical 2, 6-Difluoroaniline 合成高效医药中间体及杀虫剂2,6 -二氟苯胺的新途径
Pub Date : 2023-06-28 DOI: 10.52711/0974-4150.2023.00038
Shiva Rama Krishna Samala, M. Surana, R. Sreenivasulu
Novel simple efficient hazardous free and cost-effective process for the synthesis of 2, 6-Difluoroniline. This compound is highly efficient Pharmaceutical intermediate and insecticide chemical. All the synthesized intermediates and target compound were characterized by NMR and mass analysis.
一种新颖、简单、高效、无害、经济的2,6 -二氟胺合成方法。该化合物是一种高效的医药中间体和杀虫剂。所有合成的中间体和目标化合物都通过NMR和质谱进行了表征。
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引用次数: 0
Arogyavardhini Pottali – A unique Dosage Form of Ayurveda 阿育吠陀的一种独特的剂型
Pub Date : 2023-06-28 DOI: 10.52711/0974-4150.2023.00040
S. N, M. Vaidya, S. K. S., Susheel Kumar, A. Srivastava
Rasashastra offers superior health and disease prevention to mankind rather than being a science based on alchemical principles. It contains extensive descriptions of various metallic, mineral, and herbomineral formulations, but the majority of them have not yet been investigated by the ayurvedic community. Pottali Rasakalpas has many benefits like lowest drug dose requirement and excellent efficacy when compared to other Rasayogas, pottalikalpana is an untested, innovative drug form of Rasashastra. This study has been endeavored to gather the different techniques for planning of Pottalis in short and checked out to change Arogyavardhini Vati into Pottali structure.
Rasashastra为人类提供了优越的健康和疾病预防,而不是基于炼金术原理的科学。它包含了各种金属,矿物和草药配方的广泛描述,但其中大多数尚未被阿育吠陀社区研究过。Pottali Rasakalpas与其他Rasayogas相比,具有最低的药物剂量要求和出色的疗效等优点,pottalkalpana是一种未经测试的创新Rasashastra药物形式。本研究试图收集不同的规划技术,简而言之,并检查了将Arogyavardhini Vati改为Pottali结构。
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引用次数: 0
Human Organic Cation Transporter Use and Drug Target Responses 人体有机阳离子转运体的使用和药物靶标反应
Pub Date : 2023-06-28 DOI: 10.52711/0974-4150.2023.00032
Badiginchala Navya Sai, Hindustan Abdul Ahad, Haranath Chinthaginjala, Bake Meharajunnisa, Siriguppa Dheeraj, Mallem Venkata Barath
The goal of the current work was to explore the human organic cation uptake transporter and its critical function in biological transportation. The hOCT is extensively articulated in the liver and has been found to have a broad range of substrate selectivity, which is encoded by the SLC22A1 gene. OCT1 promotes molecular diffusion, enabling nutrients to enter the cell. OCT1 can aid in the absorption of drugs used to treat illnesses like cancer, according to recent research. Functionally impaired OCT1, whose appearance levels are associated with responses to a variety of medications, is the root cause of drug resistance. One of the important pharmacological targets employed in pharmacogenomic studies has recently been proposed as OCT1. The entire OCT1 gene contains a few single nucleotide polymorphisms. Also unknown are the specific changes or interactions with other proteins required for OCT1 to recognize a range of ligands. The authors presented the most recent OCT1 findings in this review to stimulate further investigation into this crucial uptake transporter.
本研究旨在探讨人体有机阳离子摄取转运体及其在生物运输中的关键功能。hOCT在肝脏中广泛表达,并被发现具有广泛的底物选择性,这是由SLC22A1基因编码的。OCT1促进分子扩散,使营养物质进入细胞。根据最近的研究,OCT1可以帮助吸收用于治疗癌症等疾病的药物。功能受损的OCT1,其外观水平与对多种药物的反应有关,是耐药性的根本原因。最近,在药物基因组学研究中,一个重要的药理靶点被提出为OCT1。整个OCT1基因包含一些单核苷酸多态性。同样未知的是OCT1识别一系列配体所需的特定变化或与其他蛋白质的相互作用。作者在这篇综述中提出了最新的OCT1发现,以刺激对这一重要摄取转运体的进一步研究。
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引用次数: 0
Green approach towards Synthesis and Structural Analysis of benzocaine-based compound and its co-crystals 苯并卡因基化合物及其共晶的绿色合成方法及结构分析
Pub Date : 2023-04-15 DOI: 10.52711/0974-4150.2023.00028
J. Dontulwar, Anuja G. Kondalkar
The pharmaceutical cocrystals have sparked a lot of attention because of their ability to improve a drug’s physicochemical flaws, like poor water solubility. The amino carboxylic derivative of benzene was used to synthesized the benzocaine-based compounds which shows numerous biological activities. Here the mechanochemical solvent assisted grinding method were used to obtain the benzocaine-based co-crystals which is not reported yet before. The synthesized benzocain co-crystals were further analyzed using P-XRD and FTIR spectroscopic techniques. The shifting of IR peak from its individual compounds are clearly confirm the formation of co-crystal. From P-XRD analysis it is confirms that the benzocain compound and coformer shows different phase compare to its co-crystal which give the confirmation of co-crystal formation. The formation of co-crystals was further supported by taking their melting point which is completely different than pure component and its co-former. The Cambridge Structural Database (CSD) survey were used for structural analysis of reported benzocaine using mercury software. The crystal explorer software were used to calculate the percentage bond interactions in the reported benzocaine compound.
药物共晶引起了很多关注,因为它们能够改善药物的物理化学缺陷,比如水溶性差。苯的氨基羧基衍生物被用于合成苯甲酸基化合物,这些化合物具有多种生物活性。本文采用机械化学溶剂辅助研磨法制备了苯佐卡因基共晶。利用P-XRD和FTIR光谱技术对合成的苯佐卡因共晶进行了进一步的分析。单个化合物的红外光谱峰的位移清楚地证实了共晶的形成。通过P-XRD分析,证实了苯甲酸化合物及其共晶物相与共晶物相不同,从而证实了共晶物的形成。采用与纯组分及其共原体完全不同的熔点进一步支持共晶的形成。采用剑桥结构数据库(Cambridge Structural Database, CSD)调查结果,使用mercury软件对已报道的苯佐卡因进行结构分析。用晶体探针软件计算了所报道的苯佐卡因化合物中键相互作用的百分比。
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引用次数: 0
Extraction of Alkaloids from Colocynthis vulgaris (L.) Schrader harvested in Oued N’sa (Ouargla region) 土豆泥中生物碱的提取在Oued N 'sa(瓦尔格拉地区)收获的Schrader
Pub Date : 2023-04-15 DOI: 10.52711/0974-4150.2023.00021
Latra Benkhira, N. Chaouch
Plants constitute a vital component of the biodiversity as they play a key role in maintaining earth’s environmental equilibrium and ecosystem stability. Herbal medicine is known to be the oldest form of healing, dating back to ancient Greece (1600 BC). It involves the use of plant to improve, maintain or restore health and wholeness. Phytochemicals are bioactive chemicals of plant origin. They are regarded as secondary metabolites synthesized in all parts of the plant body. The quantity and quality of phytochemicals present in plant parts may differ from one part to another. In fact, there is a lack of information on the distribution of the biological activity in different plant parts mainly due to the difference in distribution of active compounds which are more frequent in some plant parts than in others. Colocynthis vulgaris (L) Schrader is one of the medicinal plants of the Cucurbitaceae family, widespread in Algeria mainly in Ouargla in the region of Oued N'sa. This plant is used in traditional medicine for the treatment of several diseases. Its multiple pharmacological properties are due to its richness in active substances, especially alkaloids. The main objective of this study is the comparison between two extraction protocols of alkaloids, one in acid medium and the other in an alkaline medium. The results obtained confirm the plant's richness in alkaloids and the efficiency of the extraction protocol in acid medium.
植物是生物多样性的重要组成部分,对维持地球环境平衡和生态系统稳定起着关键作用。众所周知,草药是最古老的治疗形式,可以追溯到古希腊(公元前1600年)。它涉及到利用植物来改善、维持或恢复健康和整体性。植物化学物质是植物源性的生物活性化学物质。它们被认为是植物体各部位合成的次生代谢物。植物各部分中存在的植物化学物质的数量和质量可能因部分而异。事实上,由于活性化合物在不同植物部位的分布存在差异,在某些植物部位的分布比在其他植物部位的分布更频繁,因此缺乏有关生物活性在不同植物部位分布的信息。Colocynthis vulgaris (L) Schrader是葫芦科药用植物之一,广泛分布于阿尔及利亚,主要分布在Oued N'sa地区的Ouargla。这种植物在传统医学中用于治疗几种疾病。其多种药理特性是由于其丰富的活性物质,特别是生物碱。本研究的主要目的是比较在酸性培养基和碱性培养基中提取生物碱的两种方法。结果证实了该植物生物碱的丰富度和酸性培养基提取方案的有效性。
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引用次数: 0
Commercial Cultivation and Collection Aspects of Medicinal and Aromatic Plants 药用和芳香植物的商业种植和采集
Pub Date : 2023-04-15 DOI: 10.52711/0974-4150.2023.00030
Amol Pore, Sanjay Bais, Anjali Bhausaheb Sathe
With the increased realization that many wild medicinal and aromatic plant (MAP) Species are being over-exploited, a number of agencies are recommending that wild species be brought into cultivation systems. Others argue sustainable harvest to be the most important conservation strategy for most wild-harvested species, given their contributions to local economies and their greater value to harvesters over the long term. Besides poverty and the breakdown of traditional controls, the major challenges for sustainable wild-collection include lack of knowledge about sustainable harvest rates and practices, undefined land use rights and lack of legislative and policy guidance. Identifying the conservation benefits and costs of the different production system for MAP should help guide policies as whether species conservation should take place in nature or the nursery, or both.
随着人们日益认识到许多野生药用和芳香植物(MAP)物种正在被过度开发,一些机构建议将野生物种引入栽培系统。另一些人则认为,考虑到野生物种对当地经济的贡献以及它们对采集者的长期更大价值,可持续收获是大多数野生物种最重要的保护策略。除了贫困和传统控制的崩溃之外,可持续野生采集面临的主要挑战包括缺乏关于可持续采收率和做法的知识、土地使用权不明确以及缺乏立法和政策指导。确定不同MAP生产系统的保护效益和成本应有助于指导有关物种保护应在自然环境中还是在苗圃中进行,或两者同时进行的政策。
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引用次数: 0
期刊
Asian Journal of Research in Chemistry
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