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An Overview of Optical Sensing of Copper and its Removal by DifferentTechniques 铜的光学传感及其不同去除技术概述
Pub Date : 2024-07-12 DOI: 10.2174/012210299x281975240709092821
Srishti Dutta, Dishen Kumar Banjara, Abhilash Pandey, Vansikha Sharma, Devanand Sahu, Niraj Kumari, G. Patra
The identification of heavy metals by sensing technologies is a crucial area of study since these metals are present in the environment and arehazardous. The in-depth analyses of the probes' structures and sensing capabilities improve our understanding of how to design and develop probesfor the same metal in the future. The third most common metal ion and trace element, copper (Cu2+), is essential to all living things and is involvedin several activities. However, different diseases are caused by excess or deficiency of Cu2+ ions, depending on what the cell requires. For all ofthese reasons, optical sensors have concentrated on quick, highly sensitive, and selective real-time detection of Cu2+ ions. Fluorescence in therefractive index-adsorption from the interactions between light and matter can be measured using optical sensors. Furthermore, due to their strongadvantages which include real-time detection, simplicity and naked eye recognition, low cost, high specificity against analytes, quick reaction, andthe requirement for less complex equipment during analysis they have attracted a lot of attention in recent years. In this review, we covered manyfluoro and chemosensors for the detection of copper, along with their sensing parameters in various mediums and thorough structural analyses.This review also covers the extraction of copper from the aqueous medium. The use of membrane processes, adsorption, and electrocoagulation isexamined, and the difficulties associated with their application have been presented.
利用传感技术识别重金属是一个重要的研究领域,因为这些金属存在于环境中并具有危险性。通过对探针结构和传感能力的深入分析,我们对未来如何设计和开发同种金属的探针有了更深入的了解。铜(Cu2+)是第三种最常见的金属离子和微量元素,是所有生物所必需的,并参与多种活动。然而,不同的疾病是由 Cu2+ 离子过量或缺乏引起的,这取决于细胞需要什么。鉴于上述原因,光学传感器的重点是快速、高灵敏度和选择性地实时检测 Cu2+ 离子。光学传感器可以测量光与物质相互作用产生的折射率吸附荧光。此外,由于光学传感器具有实时检测、简单易用、肉眼可识别、成本低、对被分析物特异性高、反应速度快、分析时对设备要求不复杂等优点,近年来受到了广泛关注。在这篇综述中,我们介绍了许多用于检测铜的氟传感器和化学传感器,以及它们在各种介质中的传感参数和全面的结构分析。本综述还介绍了从水介质中提取铜的方法,包括膜法、吸附法和电凝法,并介绍了与这些方法的应用有关的困难。
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引用次数: 0
Role of Artificial Intelligence in Pharmaceutical Drug Development 人工智能在药物开发中的作用
Pub Date : 2024-07-11 DOI: 10.2174/012210299x313252240521111358
Aditya Narayan, Arsh Chanana, Oma Shanker, Yukta R. Kulkarni, Pooja Gupta, Akhilesh Patel, Ujwal Havelikar, Ravindra Pal Singh, H. Chawra
One of the most popular sectors in the tech and healthcare industries right now is artificial intelligence. In the search and development of newdrugs, artificial intelligence is essential. Drug design using computer-assisted design (CADD) has supplanted the traditional approach. Artificialintelligence is assisting businesses in the development of new drugs in a faster, more affordable, and more efficient manner, saving money andmanpower in the process of creating new drug molecules to treat any disease. Quantitative structure-activity relationship (QSAR) analysis, activityscoring, in silico testing, biomarker development, and mode of action identification are all aided by artificial intelligence. It is revolutionizing thesesectors by swiftly identifying potential drug candidates, efficiently conducting clinical trials, and customizing patient care. AI optimizes drugmanufacturing processes, augments safety monitoring, and streamlines market analysis. In clinical trials, AI streamlines patient recruitment andensures more precise trial designs, leading to faster and more efficient research. AI empowers personalized medicine by tailoring treatment plansand drug dosages to individual patient characteristics. AI also optimizes pharmaceutical manufacturing processes, amplifies safety monitoring byanalyzing real-time data for adverse events, and supports market analysis and sales strategies. AI in the pharmaceutical industry is a multifacetedtool. Artificial Intelligence (AI) has the potential to streamline complex pharmaceutical regulatory matters. Regulatory processes like audits anddossier completion can be automated with AI tools.
人工智能是当前科技和医疗保健行业最热门的领域之一。在寻找和开发新药的过程中,人工智能是必不可少的。使用计算机辅助设计(CADD)进行药物设计已经取代了传统方法。人工智能正在协助企业以更快、更实惠、更高效的方式开发新药,在创造治疗任何疾病的新药物分子的过程中节省资金和人力。定量结构-活性关系(QSAR)分析、活性评分、硅学测试、生物标记开发和作用模式识别都离不开人工智能的帮助。人工智能通过快速识别潜在候选药物、高效开展临床试验和定制病人护理,正在彻底改变这些领域。人工智能优化了药品生产流程,增强了安全性监测,并简化了市场分析。在临床试验中,人工智能可简化患者招募,确保更精确的试验设计,从而实现更快、更高效的研究。人工智能可根据患者的个体特征量身定制治疗方案和药物剂量,从而实现个性化医疗。人工智能还能优化制药流程,通过分析不良事件的实时数据加强安全监控,并支持市场分析和销售策略。制药行业的人工智能是一个多面手。人工智能有可能简化复杂的制药监管事务。利用人工智能工具,审计和档案填写等监管流程可以实现自动化。
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引用次数: 0
Evaluation of 3, 3’-Disubstituted Oxindoles Derivatives as a Potential Anti-Cancer Tyrosine Kinase Inhibitors-Molecular Docking and ADME Studies 评估作为潜在抗癌酪氨酸激酶抑制剂的 3,3'-二取代吲哚衍生物--分子对接和 ADME 研究
Pub Date : 2024-07-03 DOI: 10.2174/012210299x310595240626104426
Sukhmeet Kaur, Kirandeep Kaur, Jasneet Kaur, Raghav Mahajan, Jyotisina, Kulwinder Kaur
This study aims to explore the binding interactions between synthesized 3,3’-Disubstituted Oxindoles and the HCK enzyme, with the specific goalof discovering potential anticancer agents.Cancer presents an ongoing global health challenge, necessitating the exploration of innovative therapeutic approaches. Isatin derivatives andpyridine compounds hold great promise for the development of anticancer drugs due to their wide-ranging biological activities. Moreover, HCKplays a significant role in chemotherapy resistance and reduced drug efficacy in clinical settings, highlighting its importance in the intricatenetwork of cancer pathophysiology. There is an urgent need for targeted interventions to regulate HCK activity and enhance cancer treatmentoutcomes.In our study, we ensured meticulous optimization of protein and ligand preparation to guarantee accurate docking simulations. We conductedmolecular docking analyses using the state-of-the-art Glide module and assessed ADME properties using the Schrödinger suite's QikProp tool.Through molecular docking, compounds 3c and 3e have emerged as promising anticancer agents with low docking scores against Tyrosine Kinase.Further ADME analysis has provided valuable insights into the compounds' in-silico behaviour, while computed dipole moments have enhancedour understanding of their physicochemical characteristicsIn this study, we explored how the synthesized compounds bind within the HCK active site, indicating potential anticancer properties. Through insilico docking, we identified compounds 3c and 3e as possible anticancer agents, with the lowest docking scores of -7.621 and -7.602 kcal/molagainst Tyrosine Kinase. These findings emphasize the importance of computational approaches in drug discovery and offer valuable insights forfuture research and development efforts.
本研究旨在探索合成的 3,3'-二取代氧化吲哚与 HCK 酶之间的结合相互作用,具体目标是发现潜在的抗癌药物。靛红衍生物和吡啶化合物具有广泛的生物活性,因此在开发抗癌药物方面大有可为。此外,在临床上,HCK 在化疗耐药性和药物疗效降低方面发挥着重要作用,凸显了其在癌症病理生理学错综复杂的网络中的重要性。在我们的研究中,我们对蛋白质和配体的制备进行了细致的优化,以保证对接模拟的准确性。我们使用最先进的 Glide 模块进行了分子对接分析,并使用薛定谔套件的 QikProp 工具评估了 ADME 特性。通过分子对接,化合物 3c 和 3e 成为了有前途的抗癌剂,它们与酪氨酸激酶的对接得分较低。在这项研究中,我们探讨了合成的化合物如何在 HCK 活性位点内结合,从而显示出潜在的抗癌特性。通过内部对接,我们发现化合物 3c 和 3e 可能具有抗癌作用,它们与酪氨酸激酶的对接得分最低,分别为 -7.621 和 -7.602 kcal/molagainst。这些发现强调了计算方法在药物发现中的重要性,并为今后的研究和开发工作提供了宝贵的见解。
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引用次数: 0
Recent Developments in the Use of Spinel Ferrite Nanoparticles as Catalysts inOrganic Reactions 将尖晶石铁氧体纳米颗粒用作有机反应催化剂的最新进展
Pub Date : 2024-07-03 DOI: 10.2174/012210299x312557240625064143
Babul Kalita, Saddam Iraqui, Gariyasee Dutta, Md. Harunar Rashid
The unique physicochemical properties, low cost, low toxicity, and size- and shape-dependent magnetic properties of the ferrite-basednanoparticles make them an indispensable choice of material for various applications, including catalysis.The objective of this review is to summarize the results of the most widely used ferrite nanoparticles such as NiFe2O4, CuFe2O4, CoFe2O4, ZnFe2O4,and MnFe2O4 as catalysts in organic reactions such as C–X (X = N, O, and S) coupling, oxidation, and N-heterocycles formation reactions.This review includes a well-summarized compilation of the most widely used nanostructured ferrites such as NiFe2O4, CuFe2O4, CoFe2O4, ZnFe2O4,and MnFe2O4 as heterogeneous catalysts in selected organic reactions such as C–X (X = N, O, and S) coupling, oxidation, and N-heterocyclesformation reactions. The nanostructured magnetic ferrite catalysts are reliable and extremely effective and facilitate the quick separation ofcatalysts, making the process sustainable.The presentation of the review has been proposed anticipating new perspectives and insight in the field of catalysis and investigate furtherdevelopment of novel ferrite materials on an industrial scale for practical applications.
基于铁氧体的纳米颗粒具有独特的物理化学特性、低成本、低毒性以及尺寸和形状随磁性变化的特性,因此成为包括催化在内的各种应用中不可或缺的材料选择。本综述旨在总结最广泛使用的铁氧体纳米颗粒(如 NiFe2O4、CuFe2O4、CoFe2O4、ZnFe2O4 和 MnFe2O4)在有机反应(如 C-X(X = N、O 和 S)偶联、氧化和 N-杂环形成反应)中作为催化剂的研究成果。本综述对最广泛使用的纳米结构铁氧体(如 NiFe2O4、CuFe2O4、CoFe2O4、ZnFe2O4 和 MnFe2O4)进行了总结,这些纳米结构铁氧体可在特定有机反应(如 C-X(X = N、O 和 S)偶联、氧化和 N-杂环形成反应)中用作异相催化剂。纳米结构的磁性铁氧体催化剂性能可靠、极其有效,并能促进催化剂的快速分离,使反应过程具有可持续性。本综述旨在展望催化领域的新视角和新见解,并研究新型铁氧体材料在工业规模上的进一步发展和实际应用。
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引用次数: 0
New Drug for Management of Severe Uncontrolled Asthma: Tezepelumab 治疗严重失控哮喘的新药:特珠单抗
Pub Date : 2024-03-07 DOI: 10.2174/012210299x258665231205115939
Manvi Sharma, Prince P. George, Ranjeet Kumar, Amit Sharma
Tezepelumab is a first-in-class human IgG2λ monoclonal antibody used to treat severe, uncontrolled asthma. Tezepelumab acts by hindering theaction of thymic stromal lymphopoietin (TSLP), an epithelial-derived cytokine that triggers an immunological response by binding to TSLP andthereby preventing its binding with the TSLP receptor complex. TSLP has a critical role in Th2 immunity and plays an important role in thepathogenesis of asthma because it stimulates the production of Th2-associated inflammatory mediators, such as interleukin-4, interleukin-5,interleukin-9, and interleukin-13. It is the first biologic with no phenotypic or biomarker restrictions that has been approved for use in severeasthma. Tezepelumab is indicated in severe, uncontrolled asthma patients due to its safety, tolerability, and efficacy. Adults with severe,uncontrolled asthma experienced considerably lower annualised asthma exacerbation rates (AAERs) when administered with tezepelumabcompared to a placebo. These preliminary results indicated that the TSLP-induced release of T2 inflammatory mediators may be reduced, and thesustained inhibition was maintained over a 52-week treatment period. In this review, we have summarised various phase III clinical trials and themechanism of action of tezepelumab in severe, uncontrolled asthma.
Tezepelumab 是一种首创的人类 IgG2λ 单克隆抗体,用于治疗严重的、无法控制的哮喘。TSLP是一种上皮源性细胞因子,通过与TSLP结合并阻止其与TSLP受体复合物结合而触发免疫反应。TSLP 在 Th2 免疫中起着关键作用,并在哮喘发病机制中起着重要作用,因为它能刺激 Th2 相关炎症介质的产生,如白细胞介素-4、白细胞介素-5、白细胞介素-9 和白细胞介素-13。它是第一个没有表型或生物标志物限制的生物制剂,已被批准用于重症哮喘。特珠单抗因其安全性、耐受性和有效性而适用于严重的、未得到控制的哮喘患者。与安慰剂相比,患有严重、未得到控制的哮喘的成人在使用替塞单抗后,哮喘的年恶化率(AAER)大大降低。这些初步结果表明,TSLP诱导的T2炎症介质释放可能会减少,而且持续的抑制作用在52周的治疗期内得以维持。在这篇综述中,我们总结了各种 III 期临床试验和替塞普鲁单抗在严重、失控哮喘中的作用机理。
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引用次数: 0
Computational Molecular Docking and In-Silico, ADMET Prediction Studies ofQuinoline Derivatives as EPHB4 Inhibitor 作为 EPHB4 抑制剂的喹啉衍生物的计算分子对接和硅内 ADMET 预测研究
Pub Date : 2024-03-07 DOI: 10.2174/012210299x265033240116113623
Ganesh S. Mhaske, Sanket R. Thorat, Varun S. Pawar, Ravindra S. Pawar, S. R. Jambhulkar, Omkar A. Ghumre
The creation and development of novel chemical entities is made possible by numerous computer-aided drug design techniques. The ability tovisualize the ligand-target interaction and forecast the important holding pocket locations and affinities of ligands to their intended macromoleculesis made possible by pharmacophore-based drug design and understanding in-silico methodologies.The aim of the current investigation was to find novel 2-chloroquinoline-3-carboxamide derivatives that target the Ephrin B4 (EPHB4) receptor totreat cancer.Chem Axon Marvin Sketch 5.11.5 was used to create derivatives of 2-chloroquinoline-3-carboxamide. The physicochemical characteristics ofcompounds as well as their toxicity were predicted using SwissADME& the admet SAR online software’s. Molecular docking technology wasused to examine the ligand-receptor interactions of 2-chloroquinoline-3-carboxamide derivatives with the target receptor (PDB- 6FNM) using avariety of software’s, including Autodock1.1.2,Procheck, ProtParam tool, Biovia Discovery Studio Visualizer v20.1.0.19295, MGL Tools 1.5.6,PyMOL, and were all included.All developed compounds were determined to be orally bioavailable, less toxic, and have acceptable pharmacokinetic properties according to insilico studies. In comparison to the traditional medication Erdafitnib, all new compounds displayed higher docking scores.The increase in binding energy and the number of H-bonds created by novel derivatives with interactions at distances below 3.40A provide ahelpful starting point for formulating and synthesizing compounds that are most suitable for additional research. The application of the 2-chloroquinoline-3-carboxamide moiety as a potential new cancer treatment candidate is supported by its pharmacokinetics &toxicological profile,which may aid medicinal chemists in conducting more in-depth in vitro, in vivo chemical and pharmacological studies.
许多计算机辅助药物设计技术使新型化学实体的创造和开发成为可能。基于药理的药物设计和理解力的硅学方法使配体与靶点相互作用的可视化以及预测配体与目标大分子的重要持袋位置和亲和力的能力成为可能。使用 SwissADME 和 admet SAR 在线软件预测了化合物的理化特性及其毒性。利用分子对接技术研究了 2-氯喹啉-3-甲酰胺衍生物与目标受体(PDB- 6FNM)的配体-受体相互作用,使用的软件包括 Autodock1.1.所有开发的化合物都具有口服生物利用度高、毒性低和可接受的药代动力学特性。与传统药物 Erdafitnib 相比,所有新化合物都显示出更高的对接得分。新型衍生物的结合能和相互作用距离低于 3.40A 时产生的 H 键数量的增加,为配制和合成最适合进一步研究的化合物提供了一个有益的起点。2-氯喹啉-3-甲酰胺分子作为一种潜在的癌症治疗新候选化合物的应用得到了其药代动力学和毒理学特征的支持,这可能有助于药物化学家进行更深入的体外、体内化学和药理学研究。
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Current Indian Science
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