首页 > 最新文献

Oriental Journal Of Chemistry最新文献

英文 中文
Search for New Inhibitors of Human Aromatase Enzyme (Cyp450) from Bioactive Compounds of Citrus species 从柑橘类生物活性化合物中寻找新的人芳香酶抑制剂(Cyp450
Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-10-30 DOI: 10.13005/ojc/390517
Moumita Saha, Sirshendu Chatterjee
Oestrogen synthesis pathway is one of the bottom line steps for breast cancer advancement; involving, aromatase enzyme (Cyp450), which transform androgens to oestrogens. Thus endocrine-based therapies comprising of human aromatase blockage is the most necessary way in order to decrease the oestrogen levels and thereafter prohibiting the chances of breast cancer commencement. In recent years, limelight on drug discovery from green sources has been growing for their less toxicity and cost effectiveness. Our present course of study aims at searching of new antagonist/s from a common dietary source “Citrus species”. Molecular docking along with in-silico evaluation their pharmacokinetics (ADME) properties and toxicity were employed to fulfill the aim. Result shows that, all the five Citrus compounds have reasonable affinity towards cytochrome p450. However, Hesperidin shows highest affinity towards its target receptor protein i.e. -9.7 kcal/ mol, followed by Chalcone that shows the lowest affinity towards its target protein i.e. -7.4 kcal/ mol. Hence, bioactive components of Citrus species can be green alternatives for breast cancer therapy.
雌激素合成途径是乳腺癌进展的底线步骤之一;包括将雄激素转化为雌激素的芳香化酶(Cyp450)。因此,以内分泌为基础的治疗包括人类芳香化酶阻断是最必要的方式,以降低雌激素水平,从而禁止乳腺癌的机会开始。近年来,绿色药物因其低毒性和低成本而受到越来越多的关注。我们目前的研究旨在从一种常见的食物来源“柑橘”中寻找新的拮抗剂。通过分子对接和计算机评价其药代动力学(ADME)特性和毒性来实现这一目的。结果表明,5种柑橘类化合物均对细胞色素p450具有合理的亲和力。然而,橙皮苷对其靶受体蛋白的亲和力最高,为-9.7 kcal/ mol,其次是查尔酮,对其靶蛋白的亲和力最低,为-7.4 kcal/ mol。因此,柑橘类植物的生物活性成分可以作为乳腺癌治疗的绿色替代品。
{"title":"Search for New Inhibitors of Human Aromatase Enzyme (Cyp450) from Bioactive Compounds of Citrus species","authors":"Moumita Saha, Sirshendu Chatterjee","doi":"10.13005/ojc/390517","DOIUrl":"https://doi.org/10.13005/ojc/390517","url":null,"abstract":"Oestrogen synthesis pathway is one of the bottom line steps for breast cancer advancement; involving, aromatase enzyme (Cyp450), which transform androgens to oestrogens. Thus endocrine-based therapies comprising of human aromatase blockage is the most necessary way in order to decrease the oestrogen levels and thereafter prohibiting the chances of breast cancer commencement. In recent years, limelight on drug discovery from green sources has been growing for their less toxicity and cost effectiveness. Our present course of study aims at searching of new antagonist/s from a common dietary source “Citrus species”. Molecular docking along with in-silico evaluation their pharmacokinetics (ADME) properties and toxicity were employed to fulfill the aim. Result shows that, all the five Citrus compounds have reasonable affinity towards cytochrome p450. However, Hesperidin shows highest affinity towards its target receptor protein i.e. -9.7 kcal/ mol, followed by Chalcone that shows the lowest affinity towards its target protein i.e. -7.4 kcal/ mol. Hence, bioactive components of Citrus species can be green alternatives for breast cancer therapy.","PeriodicalId":19599,"journal":{"name":"Oriental Journal Of Chemistry","volume":"64 5","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136068904","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
Synthesis, Characterization, Molecular docking and Anti-anxiety Evaluation of Some Novel Phenothiazine Derivatives 一些新型吩噻嗪衍生物的合成、表征、分子对接及抗焦虑评价
Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-10-30 DOI: 10.13005/ojc/390516
Pooja Saini, Sushil Kumar
The phenothiazine derivatives 1-(10H-phenothiazin-10-yl)-2-(4-(1-(phenylimino)ethyl)phenoxy)ethan-1-one (4a-4j) are produced from 2-(4-acetylphenoxy)-1-(10H-phenothiazin-10-yl)ethan-1-one (3) and after that, condensing them with various carbonyl compounds. Acetonitrile was used as solvent. The purity of the analogues and reaction progress were identified through their retention factor value and melting point. Characterization of the prepared analogues was completed via performing their Infra-red, proton-nuclear magnetic resonance spectroscopy with their elemental analysis. The set of molecular docking parameters of the compounds were assessed to check to their potentiality. Autodock Vina 1.2.0 was used to dock the derivatives and the docking score of all the synthesized derivatives ranges from -8.7 to -10.2. Investigation of anti-anxiety activity on albino wistar rat, was executed for all the prepared phenothiazine analogues. EPM model was approached for performing anti-anxiety study, taking Diazepam as standard drug. The compounds 2-(4-(1-((3-nitrophenyl) imino)ethyl)phenoxy)-1-(10H-phenothiazin-10-yl)ethan-1-one (4e) and 2-(4-(1-((3,4-dinitrophenyl)imino)ethyl)phenoxy)-1-(10H-phenothiazin-10-yl)ethan-1-one (4g) were showed maximum potency among all the prepared derivatives as compared to Diazepam.
由2-(4-乙酰苯氧基)-1-(10h -吩噻嗪-10-基)-1-(10h -吩噻嗪-10-基)ethan-1-one(4-(1-(苯基)乙基)苯氧基)ethan-1-one(3)合成吩噻嗪衍生物1-(10h -吩噻嗪-10-基)ethan-1-one (4a-4j),然后与各种羰基化合物缩合。乙腈为溶剂。通过保留因子值和熔点来确定类似物的纯度和反应过程。制备的类似物通过红外、质子核磁共振波谱和元素分析完成了表征。对化合物的分子对接参数集进行了评价,以验证其潜力。使用Autodock Vina 1.2.0进行对接,所有合成的衍生物的对接评分范围为-8.7 ~ -10.2。研究了所制备的吩噻嗪类似物对白化wistar大鼠的抗焦虑作用。以地西泮为标准药,采用EPM模型进行抗焦虑研究。化合物2-(4-(1-(3-硝基苯基)亚胺)乙基)苯氧基)-1-(10h -吩噻嗪-10-基)ethan-1-one (4e)和2-(4-(1-(3,4-二硝基苯基)亚胺)乙基)苯氧基)-1-(10h -吩噻嗪-10-基)ethan-1-one (4g)与地西泮相比效价最高。
{"title":"Synthesis, Characterization, Molecular docking and Anti-anxiety Evaluation of Some Novel Phenothiazine Derivatives","authors":"Pooja Saini, Sushil Kumar","doi":"10.13005/ojc/390516","DOIUrl":"https://doi.org/10.13005/ojc/390516","url":null,"abstract":"The phenothiazine derivatives 1-(10H-phenothiazin-10-yl)-2-(4-(1-(phenylimino)ethyl)phenoxy)ethan-1-one (4a-4j) are produced from 2-(4-acetylphenoxy)-1-(10H-phenothiazin-10-yl)ethan-1-one (3) and after that, condensing them with various carbonyl compounds. Acetonitrile was used as solvent. The purity of the analogues and reaction progress were identified through their retention factor value and melting point. Characterization of the prepared analogues was completed via performing their Infra-red, proton-nuclear magnetic resonance spectroscopy with their elemental analysis. The set of molecular docking parameters of the compounds were assessed to check to their potentiality. Autodock Vina 1.2.0 was used to dock the derivatives and the docking score of all the synthesized derivatives ranges from -8.7 to -10.2. Investigation of anti-anxiety activity on albino wistar rat, was executed for all the prepared phenothiazine analogues. EPM model was approached for performing anti-anxiety study, taking Diazepam as standard drug. The compounds 2-(4-(1-((3-nitrophenyl) imino)ethyl)phenoxy)-1-(10H-phenothiazin-10-yl)ethan-1-one (4e) and 2-(4-(1-((3,4-dinitrophenyl)imino)ethyl)phenoxy)-1-(10H-phenothiazin-10-yl)ethan-1-one (4g) were showed maximum potency among all the prepared derivatives as compared to Diazepam.","PeriodicalId":19599,"journal":{"name":"Oriental Journal Of Chemistry","volume":"28 3","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136068905","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
Synthesis of CeO2-GO Nano Composite and its Impact on SOD1 Protein Through Computation Study: Molecular Docking CeO2-GO纳米复合材料的合成及其对SOD1蛋白影响的计算研究:分子对接
Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-10-30 DOI: 10.13005/ojc/390523
S. Chitrarasu, A. Selvam, M. Yogapriya, K. i Boopath, K. Selvapriya
Motor neuron disease (MND) has become the most widespread neurodegenerative disease, like ALS, AD, and PD, affecting millions of human beings worldwide. Among these, ALS disease plays a major role in MND. The metal oxides have an essential role in neurodegenerative diseases. Cerium oxide nanoparticles have received a lot of attention in recent years as a potential future remedy for treating a variety of problems due to their redox activity, free radical scavenging capabilities, biofilm suppression, and other features. We are using molecular docking experiments to better understand the interaction of transition metal oxides (CeO2) with mutated and Non-mutated SOD1 proteins. Through the use of molecular docking studies, the structural relationship between amino acids, binding energy, and ligand efficiency was investigated. Auto-dock analysis also reveals that the CeO2 nanoparticle has significant binding energy. In this work, we synthesize a Cerium oxide/GO composite and examine its impact on mutant and non-mutant SOD1 proteins, as well as antioxidant assays (SOD3), anti-microbial activity, and CV analysis.
运动神经元病(MND)已成为与ALS、AD、PD一样,影响全球数百万人的最广泛的神经退行性疾病。其中,ALS疾病在MND中起主要作用。金属氧化物在神经退行性疾病中起重要作用。近年来,氧化铈纳米颗粒由于其氧化还原活性、自由基清除能力、生物膜抑制等特性,作为未来治疗各种疾病的潜在药物受到了广泛关注。我们正在使用分子对接实验来更好地了解过渡金属氧化物(CeO2)与突变和非突变SOD1蛋白的相互作用。通过分子对接研究,研究了氨基酸之间的结构关系、结合能和配体效率。自动对接分析还表明,CeO2纳米颗粒具有显著的结合能。在这项工作中,我们合成了氧化铈/氧化石墨烯复合物,并研究了其对突变型和非突变型SOD1蛋白的影响,以及抗氧化试验(SOD3)、抗微生物活性和CV分析。
{"title":"Synthesis of CeO2-GO Nano Composite and its Impact on SOD1 Protein Through Computation Study: Molecular Docking","authors":"S. Chitrarasu, A. Selvam, M. Yogapriya, K. i Boopath, K. Selvapriya","doi":"10.13005/ojc/390523","DOIUrl":"https://doi.org/10.13005/ojc/390523","url":null,"abstract":"Motor neuron disease (MND) has become the most widespread neurodegenerative disease, like ALS, AD, and PD, affecting millions of human beings worldwide. Among these, ALS disease plays a major role in MND. The metal oxides have an essential role in neurodegenerative diseases. Cerium oxide nanoparticles have received a lot of attention in recent years as a potential future remedy for treating a variety of problems due to their redox activity, free radical scavenging capabilities, biofilm suppression, and other features. We are using molecular docking experiments to better understand the interaction of transition metal oxides (CeO2) with mutated and Non-mutated SOD1 proteins. Through the use of molecular docking studies, the structural relationship between amino acids, binding energy, and ligand efficiency was investigated. Auto-dock analysis also reveals that the CeO2 nanoparticle has significant binding energy. In this work, we synthesize a Cerium oxide/GO composite and examine its impact on mutant and non-mutant SOD1 proteins, as well as antioxidant assays (SOD3), anti-microbial activity, and CV analysis.","PeriodicalId":19599,"journal":{"name":"Oriental Journal Of Chemistry","volume":"38 20 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136068033","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
Design, Synthesis and Anticancer Properties of Novel Hydrazino-Fused Pyrimidines 新型肼合嘧啶的设计、合成及抗癌性能研究
Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-10-30 DOI: 10.13005/ojc/390503
Sathish Kumar Mittapalli, Iffath Rizwana, Ch. Hari Prasad Murthy, Nimisha Jain, Sagar Pamu, Pawan Kumar Gupta
The Pyrimidine system has received great attention and a vital component of genetic material emerged has fundamental source to fight against cancer. The pyrazolo(1,5-a) pyrimidines (5a-5j) were designed based on the structural features of antitumor antimetabolites, synthesized and chemical structures were confirmed using spectroscopic methods such as IR, 1H NMR, 13C NMR, Mass Spectral and elemental analysis. The cytotoxic activity was evaluated by DPPH free radical scavenging assay against standard ascorbic acid and MTT assay against MCF-7, HepG-2, and imatinib as standard. The DPPH assay indicated 5b, 5c, 5e, 5h and 5j were efficient antioxidants, while the MTT assay discloses potent cytotoxicity of 5b, 5d against MCF-7 with 16.61, 19.67µg/ml and 5c, 5h against HepG-2 with 14.32 and 19.24µg/ml compared to 5-FU. The ligands 5c and 5h demonstrated promising towards tyrosine kinase and cyclin dependent kinase 2, respectively and the bonding energy is similar as doxorubicin. Concluding that the compounds had reasonable cytotoxic potential and good association observed between in vitro and in silico studies.
嘧啶系作为一种重要的遗传物质组成部分,已受到人们的广泛关注,具有抗癌的根本来源。根据抗肿瘤抗代谢物的结构特点设计了吡唑啉(1,5-a)嘧啶(5a-5j),并通过IR、1H NMR、13C NMR、质谱和元素分析等光谱方法进行了合成和化学结构鉴定。通过DPPH自由基清除标准抗坏血酸试验和MTT抗MCF-7、HepG-2和伊马替尼试验来评估细胞毒活性。DPPH实验显示5b、5c、5e、5h和5j是有效的抗氧化剂,MTT实验显示5b、5d对MCF-7具有16.61、19.67µg/ml的细胞毒性,5b、5h对HepG-2具有14.32和19.24µg/ml的细胞毒性。配体5c和5h分别对酪氨酸激酶和周期蛋白依赖性激酶2表现出良好的结合前景,其结合能与阿霉素相似。结论:化合物具有合理的细胞毒潜能,体外和体内观察到良好的相关性。
{"title":"Design, Synthesis and Anticancer Properties of Novel Hydrazino-Fused Pyrimidines","authors":"Sathish Kumar Mittapalli, Iffath Rizwana, Ch. Hari Prasad Murthy, Nimisha Jain, Sagar Pamu, Pawan Kumar Gupta","doi":"10.13005/ojc/390503","DOIUrl":"https://doi.org/10.13005/ojc/390503","url":null,"abstract":"The Pyrimidine system has received great attention and a vital component of genetic material emerged has fundamental source to fight against cancer. The pyrazolo(1,5-a) pyrimidines (5a-5j) were designed based on the structural features of antitumor antimetabolites, synthesized and chemical structures were confirmed using spectroscopic methods such as IR, 1H NMR, 13C NMR, Mass Spectral and elemental analysis. The cytotoxic activity was evaluated by DPPH free radical scavenging assay against standard ascorbic acid and MTT assay against MCF-7, HepG-2, and imatinib as standard. The DPPH assay indicated 5b, 5c, 5e, 5h and 5j were efficient antioxidants, while the MTT assay discloses potent cytotoxicity of 5b, 5d against MCF-7 with 16.61, 19.67µg/ml and 5c, 5h against HepG-2 with 14.32 and 19.24µg/ml compared to 5-FU. The ligands 5c and 5h demonstrated promising towards tyrosine kinase and cyclin dependent kinase 2, respectively and the bonding energy is similar as doxorubicin. Concluding that the compounds had reasonable cytotoxic potential and good association observed between in vitro and in silico studies.","PeriodicalId":19599,"journal":{"name":"Oriental Journal Of Chemistry","volume":"63 3","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136068899","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
Effect of Frying and Reheating Processes on the Fatty Acids and Antioxidants of Commonly Used Cooking Oils in the Arabian Region: A Comparative Study 油炸和再加热对阿拉伯地区常用食用油脂肪酸和抗氧化剂影响的比较研究
Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-10-30 DOI: 10.13005/ojc/390513
Noha Omer, Suhair A. Atta, Rasha Jame, Fatimah A. Alotaibi, Jozaa. N. Al –Tweher, Hatem A. Al-Aoh, Zahra E. Suliman, Syed Khalid Mustafa
Vegetable oils like extra virgin olive oil, Moringa oleifera oil, sunflower, and corn oils are regularly used for cooking purposes in the Arabian region. Additionally, the consumption of fried food is becoming increasingly popular in this region. The current study is to find out how temperature affects oils without using food of any kind. The fatty acid and antioxidant profiles of these four vegetable oils (extra virgin olive oil, Moringa oleifera oil, sunflower oil, and corn oil) have been investigated in terms of temperature during deep-frying and re-heating. In this process, an electric fryer is used for deep-frying and reheating oil without adding any kind of food. The collected vegetable oil samples were heated for six hours on five different time periods to a temperature of up to 175 ± 5 °C, and the fatty acid profiles were analysed before and after each cycle by using gas chromatography and were characterized by means of UV and FTIR techniques as well. The composition of oil fatty acids is more affected by re-heating than by deep-frying, as the results indicated. The antioxidant activity of the different oils was assessed using the diphenyl-1-picrylhydrazyl (DPPH) scan; the findings revealed that, whereas antioxidant activity dropped sharply in re-heated oils, it did so gradually for deep-frying samples.
在阿拉伯地区,特级初榨橄榄油、辣木油、葵花籽油和玉米油等植物油经常用于烹饪。此外,油炸食品的消费在该地区越来越受欢迎。目前的研究是在不使用任何食物的情况下找出温度是如何影响油的。这四种植物油(特级初榨橄榄油、辣木油、葵花籽油和玉米油)的脂肪酸和抗氧化特性在油炸和再加热过程中的温度方面进行了研究。在这个过程中,使用电炸锅进行油炸和重新加热油,而不添加任何食物。将收集的植物油样品在5个不同的时间段内加热6小时,温度最高可达175±5°C,并通过气相色谱法分析每个周期前后的脂肪酸谱,并通过紫外和红外光谱技术进行表征。结果表明,再加热比油炸对油脂脂肪酸组成的影响更大。采用二苯基-1-吡啶酰肼(DPPH)扫描法评价不同油脂的抗氧化活性;研究结果显示,虽然重新加热的油的抗氧化活性急剧下降,但油炸样品的抗氧化活性逐渐下降。
{"title":"Effect of Frying and Reheating Processes on the Fatty Acids and Antioxidants of Commonly Used Cooking Oils in the Arabian Region: A Comparative Study","authors":"Noha Omer, Suhair A. Atta, Rasha Jame, Fatimah A. Alotaibi, Jozaa. N. Al –Tweher, Hatem A. Al-Aoh, Zahra E. Suliman, Syed Khalid Mustafa","doi":"10.13005/ojc/390513","DOIUrl":"https://doi.org/10.13005/ojc/390513","url":null,"abstract":"Vegetable oils like extra virgin olive oil, Moringa oleifera oil, sunflower, and corn oils are regularly used for cooking purposes in the Arabian region. Additionally, the consumption of fried food is becoming increasingly popular in this region. The current study is to find out how temperature affects oils without using food of any kind. The fatty acid and antioxidant profiles of these four vegetable oils (extra virgin olive oil, Moringa oleifera oil, sunflower oil, and corn oil) have been investigated in terms of temperature during deep-frying and re-heating. In this process, an electric fryer is used for deep-frying and reheating oil without adding any kind of food. The collected vegetable oil samples were heated for six hours on five different time periods to a temperature of up to 175 ± 5 °C, and the fatty acid profiles were analysed before and after each cycle by using gas chromatography and were characterized by means of UV and FTIR techniques as well. The composition of oil fatty acids is more affected by re-heating than by deep-frying, as the results indicated. The antioxidant activity of the different oils was assessed using the diphenyl-1-picrylhydrazyl (DPPH) scan; the findings revealed that, whereas antioxidant activity dropped sharply in re-heated oils, it did so gradually for deep-frying samples.","PeriodicalId":19599,"journal":{"name":"Oriental Journal Of Chemistry","volume":"21 11","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136069413","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
Investigation of Linagliptin – Human Serum Albumin Complex formation using Spectroscopic Analysis and Molecular Docking 利格列汀-人血清白蛋白复合物形成的光谱分析和分子对接研究
Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-10-30 DOI: 10.13005/ojc/390524
D. Usha Rani, Shaheen Begum, S. Nithya, Mohamed El Fadili
When human serum albumin binds firmly with a drug molecule, the impact will be greater on its half-life and other important pharmacokinetic properties. Linagliptin is an antidiabetic drug candidate with a good safety profile. The interaction mechanism of linagliptin with HSA is not reported so far. In the present study, various spectroscopic investigations (UV, fluorescence, FTIR and CD) and molecular docking were performed to determine the binding constant and the other binding characteristics of the interaction between HSA and drug molecule. The binding constant obtained from the UV-spectroscopic results (0.98 x 103 M-1), revealed weak binding between the protein and linagliptin structure. Fluorescence spectroscopy results showed quenching of intrinsic fluorescence of HSA through static quenching. The binding constant value was Ksv = 1.26×10-4 M-1. In the FTIR and circular dichroism spectra minor changes were observed in peak positions and peak intensities. Molecular docking revealed that linagliptin was stabilized at site-I primarily with Pi-Pi stacking and the binding mode was similar that of R- warfarin.
当人血清白蛋白与药物分子紧密结合时,对其半衰期和其他重要的药代动力学特性的影响将更大。利格列汀是一种具有良好安全性的抗糖尿病候选药物。利格列汀与HSA的相互作用机制目前尚未见报道。本研究通过紫外、荧光、FTIR、CD等多种光谱研究和分子对接,确定了HSA与药物分子相互作用的结合常数等结合特性。从紫外光谱结果中获得的结合常数(0.98 x 103 M-1)显示蛋白质与利格列汀结构之间的弱结合。荧光光谱结果表明,静态猝灭可使HSA的本征荧光猝灭。绑定常数为Ksv = 1.26×10-4 M-1。在FTIR和圆二色光谱中,峰位置和峰强度发生了微小的变化。分子对接发现利格列汀主要通过Pi-Pi堆叠稳定在i位点,结合模式与R-华法林相似。
{"title":"Investigation of Linagliptin – Human Serum Albumin Complex formation using Spectroscopic Analysis and Molecular Docking","authors":"D. Usha Rani, Shaheen Begum, S. Nithya, Mohamed El Fadili","doi":"10.13005/ojc/390524","DOIUrl":"https://doi.org/10.13005/ojc/390524","url":null,"abstract":"When human serum albumin binds firmly with a drug molecule, the impact will be greater on its half-life and other important pharmacokinetic properties. Linagliptin is an antidiabetic drug candidate with a good safety profile. The interaction mechanism of linagliptin with HSA is not reported so far. In the present study, various spectroscopic investigations (UV, fluorescence, FTIR and CD) and molecular docking were performed to determine the binding constant and the other binding characteristics of the interaction between HSA and drug molecule. The binding constant obtained from the UV-spectroscopic results (0.98 x 103 M-1), revealed weak binding between the protein and linagliptin structure. Fluorescence spectroscopy results showed quenching of intrinsic fluorescence of HSA through static quenching. The binding constant value was Ksv = 1.26×10-4 M-1. In the FTIR and circular dichroism spectra minor changes were observed in peak positions and peak intensities. Molecular docking revealed that linagliptin was stabilized at site-I primarily with Pi-Pi stacking and the binding mode was similar that of R- warfarin.","PeriodicalId":19599,"journal":{"name":"Oriental Journal Of Chemistry","volume":"452 ","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136067507","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
Photocatalytic Degradation of Azo Dyes by Zinc Oxide Nanoparticles Fabricated using Aqueous Flower Extract of Cassia alata 决明子花提取物制备氧化锌纳米颗粒光催化降解偶氮染料
Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-10-30 DOI: 10.13005/ojc/390519
S. Karthika, N. Mani, B. Latha Maheswari, N. Kavikala, K. Annaidasan
The industrial revolution and the rapid increase in population growth have led to water pollution. Among the various types of pollutants, industrial dyes pose a serious threat to public health. Hence, remediation of these toxic dyes from water sources has become highly essential in terms of public health. The present study focused on the use of nanoparticles synthesized using plant sources for the remediation of azo dyes such as Methyl orange (MO) Congo red (CR), Malachite Green (MG), Eriochrome Black T (EBT) under direct solar radiation. The fabrication of Zinc oxide nanoparticles (ZnO-NPs) was mediated by aqueous flower extract of Cassia alata. The synthesized nanoparticles exhibited a surface plasmon resonance (SPR) vibration at wavelength 372 nm. The FTIR analysis revealed aromatic amines and alcohols coating the surface of ZnO-NPs. The XRD analysis showed that the synthesized nanoparticles are highly crystalline and possess hexagonal wurtzite structures. The particle size measured with maximum diffraction peak using Scherrer’s equation was 9.93 nm. The SEM images showed spherical morphology. The particle size determined with Dynamic Light Scattering (DLS) was 78.18 nm and the zeta potential analysis showed that the ZnO-NPs was -14.6 mV, indicating good dispersion and stability. The C.alata mediated ZnO-NPs exhibited excellent Photocatalytic degradation of azo dyes. Degradation efficiency of Methyl orange, Malachite green and Eriochrome black T are 76.65%, 65.07%, 60% respectively at 150 min. But Congo red is 72.76% at 120 min, because the Congo red was completely degraded at 120min. The study shows that green mediated ZnO-NPs could be effectively used as an eco-friendly alternative for the remediation of chemical pollutants from water.
工业革命和人口的快速增长导致了水污染。在各类污染物中,工业染料对公众健康构成严重威胁。因此,从公共卫生的角度来看,从水源中修复这些有毒染料已变得非常重要。本文研究了利用植物源合成的纳米颗粒在太阳直射下对偶氮染料如甲基橙(MO)刚果红(CR)、孔雀石绿(MG)、铬黑T (EBT)进行修复。以决明子花提取物为媒介,制备了氧化锌纳米颗粒。合成的纳米颗粒在波长372 nm处表现出表面等离子体共振(SPR)振动。FTIR分析发现ZnO-NPs表面包裹有芳香胺和醇类。XRD分析表明,合成的纳米颗粒具有高结晶性,具有六方纤锌矿结构。用Scherrer方程测得最大衍射峰的粒径为9.93 nm。SEM图像为球形形貌。动态光散射(DLS)测定的ZnO-NPs粒径为78.18 nm, zeta电位分析表明ZnO-NPs为-14.6 mV,具有良好的分散性和稳定性。紫菜介导的ZnO-NPs对偶氮染料表现出良好的光催化降解能力。在150 min时,甲基橙、孔雀石绿和铬黑T的降解效率分别为76.65%、65.07%和60%,而刚果红在120min时的降解效率为72.76%,因为刚果红在120min时被完全降解。研究表明,绿色介导的ZnO-NPs可以有效地作为一种生态友好的替代方法来修复水中的化学污染物。
{"title":"Photocatalytic Degradation of Azo Dyes by Zinc Oxide Nanoparticles Fabricated using Aqueous Flower Extract of Cassia alata","authors":"S. Karthika, N. Mani, B. Latha Maheswari, N. Kavikala, K. Annaidasan","doi":"10.13005/ojc/390519","DOIUrl":"https://doi.org/10.13005/ojc/390519","url":null,"abstract":"The industrial revolution and the rapid increase in population growth have led to water pollution. Among the various types of pollutants, industrial dyes pose a serious threat to public health. Hence, remediation of these toxic dyes from water sources has become highly essential in terms of public health. The present study focused on the use of nanoparticles synthesized using plant sources for the remediation of azo dyes such as Methyl orange (MO) Congo red (CR), Malachite Green (MG), Eriochrome Black T (EBT) under direct solar radiation. The fabrication of Zinc oxide nanoparticles (ZnO-NPs) was mediated by aqueous flower extract of Cassia alata. The synthesized nanoparticles exhibited a surface plasmon resonance (SPR) vibration at wavelength 372 nm. The FTIR analysis revealed aromatic amines and alcohols coating the surface of ZnO-NPs. The XRD analysis showed that the synthesized nanoparticles are highly crystalline and possess hexagonal wurtzite structures. The particle size measured with maximum diffraction peak using Scherrer’s equation was 9.93 nm. The SEM images showed spherical morphology. The particle size determined with Dynamic Light Scattering (DLS) was 78.18 nm and the zeta potential analysis showed that the ZnO-NPs was -14.6 mV, indicating good dispersion and stability. The C.alata mediated ZnO-NPs exhibited excellent Photocatalytic degradation of azo dyes. Degradation efficiency of Methyl orange, Malachite green and Eriochrome black T are 76.65%, 65.07%, 60% respectively at 150 min. But Congo red is 72.76% at 120 min, because the Congo red was completely degraded at 120min. The study shows that green mediated ZnO-NPs could be effectively used as an eco-friendly alternative for the remediation of chemical pollutants from water.","PeriodicalId":19599,"journal":{"name":"Oriental Journal Of Chemistry","volume":"64 4","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136068724","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
Design of Novel Thiohydantoin Derivatives and Exploration their Physico-Chemical Parameters 新型硫代海因衍生物的设计及其理化参数的探索
Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-10-30 DOI: 10.13005/ojc/390520
Prashant A. Gotmare, Sanjay V. Kolhe
Thiohydantoin analogues was heterocyclic non-aromatic five membered cyclic compounds obtained from aurones derivatives. In this article, we synthesized novel thiohydantoin derivatives and exploration of physicochemical parameters like density, viscosity, ultrasonic velocity, intermolecular free path, adiabatic compressibility etc. The structural elucidation of resultant compounds was done on the basis 1HNMR, IR, Mass etc. The present study revealed that, thiohydantoin analogues shows more structure making capacity in DMSO than DMF.
硫代海因类似物是由金酮衍生物合成的杂环非芳香五元环化合物。本文合成了新型硫代海因衍生物,并对其密度、粘度、超声速度、分子间自由程、绝热压缩率等理化参数进行了探索。通过hnmr、IR、Mass等手段对合成化合物进行了结构分析。本研究表明,硫代海因类似物在DMSO中比DMF表现出更强的造结构能力。
{"title":"Design of Novel Thiohydantoin Derivatives and Exploration their Physico-Chemical Parameters","authors":"Prashant A. Gotmare, Sanjay V. Kolhe","doi":"10.13005/ojc/390520","DOIUrl":"https://doi.org/10.13005/ojc/390520","url":null,"abstract":"Thiohydantoin analogues was heterocyclic non-aromatic five membered cyclic compounds obtained from aurones derivatives. In this article, we synthesized novel thiohydantoin derivatives and exploration of physicochemical parameters like density, viscosity, ultrasonic velocity, intermolecular free path, adiabatic compressibility etc. The structural elucidation of resultant compounds was done on the basis 1HNMR, IR, Mass etc. The present study revealed that, thiohydantoin analogues shows more structure making capacity in DMSO than DMF.","PeriodicalId":19599,"journal":{"name":"Oriental Journal Of Chemistry","volume":"9 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136068897","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
A Comprehensive Review on the Techniques and Indexes Used for the Analysis of Fluorosis in Humans and Cattle 人、牛氟中毒分析技术与指标综述
Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-10-30 DOI: 10.13005/ojc/390505
Pradeep Khyalia, Himani Jugiani, Jyoti Dangi, Jitender Singh Laura, Meenakshi Nandal
Fluoride is known to play a significant role in dental formation. High fluoride intake leads to different symptoms one of them is dental fluorosis, which is chronic dental toxicity. Various indexes have been introduced to measure the intensity and severity of dental fluorosis. Some of these indexes are fluoride specific, such as Dean’s index, Thylstrup and Fejerskov index, the Tooth Surface Index of Fluorosis index, ICMR index. While others are non-fluoride descriptive indexes such as the Developmental Defects of enamel index. Dental fluorosis is most commonly assessed by clinical examination by experts in these indexes, but nowadays, technical assistance such as photographs is used for diagnosis. Recent advancements have also witnessed the development of Visual analog scales and quantitative light fluorescence methods for dental fluorosis assessments. This review article focuses on important techniques and indexes used in the evaluation and characterization of dental fluorosis. A comparative review analysis of available indexes and the scope of future advancements have also been compiled.
众所周知,氟化物在牙齿形成中起着重要作用。高氟摄入会导致不同的症状,其中之一是氟斑牙,这是一种慢性牙齿中毒。介绍了各种指标来衡量氟斑牙的强度和严重程度。其中一些指标是针对氟化物的,如Dean 's指数、Thylstrup和Fejerskov指数、氟中毒牙面指数、ICMR指数等。而另一些则是非氟化物的描述性指标,如牙釉质发育缺陷指数。氟牙症最常用的评估方法是由专家在这些指标中进行临床检查,但现在,技术援助如照片被用于诊断。最近的进展也见证了用于氟牙症评估的视觉模拟量表和定量光荧光方法的发展。本文就氟斑牙评价和表征的重要技术指标作一综述。还编制了对现有指数和未来发展范围的比较审查分析。
{"title":"A Comprehensive Review on the Techniques and Indexes Used for the Analysis of Fluorosis in Humans and Cattle","authors":"Pradeep Khyalia, Himani Jugiani, Jyoti Dangi, Jitender Singh Laura, Meenakshi Nandal","doi":"10.13005/ojc/390505","DOIUrl":"https://doi.org/10.13005/ojc/390505","url":null,"abstract":"Fluoride is known to play a significant role in dental formation. High fluoride intake leads to different symptoms one of them is dental fluorosis, which is chronic dental toxicity. Various indexes have been introduced to measure the intensity and severity of dental fluorosis. Some of these indexes are fluoride specific, such as Dean’s index, Thylstrup and Fejerskov index, the Tooth Surface Index of Fluorosis index, ICMR index. While others are non-fluoride descriptive indexes such as the Developmental Defects of enamel index. Dental fluorosis is most commonly assessed by clinical examination by experts in these indexes, but nowadays, technical assistance such as photographs is used for diagnosis. Recent advancements have also witnessed the development of Visual analog scales and quantitative light fluorescence methods for dental fluorosis assessments. This review article focuses on important techniques and indexes used in the evaluation and characterization of dental fluorosis. A comparative review analysis of available indexes and the scope of future advancements have also been compiled.","PeriodicalId":19599,"journal":{"name":"Oriental Journal Of Chemistry","volume":"155 ","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136069414","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
Tunable Paramagnetism in Mn co-doped N:CdS Composite Nanoparticles Mn共掺杂N:CdS复合纳米颗粒的可调顺磁性
Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-10-30 DOI: 10.13005/ojc/390511
Surya Sekhar Reddy M
Manganese-co-doped N:CdS composite nanoparticles (CNps) have been prepared by using the co-precipitation method. 2-Mercaptoethonal is used as a surfactant to control the size of nanoparticles. X-ray diffraction (XRD) studies confirm the size of the particles in the nanorange. The Rietveld refinement with X'-pert high-score software studies show multiphase existence in as-prepared composite nanoparticles. The energy dispersive analyses of X-ray studies (EDAX) confirm the presence of doped Mn and nitrogen elements in CdS. The Fourier transform infrared spectroscopy (FTIR) studies confirm the presence of surfactant. The ultraviolet-visible spectroscopy studies (UV-VIS) show a clear blue shift in the band gap, which is an indication of the quantum confinement effect. The photoluminescence studies (PL) attribute the emission of a characteristically strong peak at λ = 632 nm, corresponding to the (4T1→6A1) transition, to the inclusion of Mn2+ in the core of the CdS lattice. The electron paramagnetic spectroscopy (EPR) studies show paramagnetic behavior. The hyperfine splitting constant (A) values around 7 mT from EPR confirms the inclusion of Mn2+ and N3- in the tetrahedral sites of the CdS core. The variation in optical and magnetic properties of as-prepared composite nanoparticles has the potential for optoelectric and magnetoluminescence devices.
采用共沉淀法制备了锰共掺杂N:CdS复合纳米粒子(CNps)。巯基乙醇被用作表面活性剂来控制纳米颗粒的大小。x射线衍射(XRD)研究证实了纳米橙中颗粒的大小。采用X′pert高分软件进行的Rietveld细化研究表明,制备的复合纳米颗粒存在多相。x射线研究的能量色散分析(EDAX)证实了镉中存在掺杂的锰和氮元素。傅里叶红外光谱(FTIR)研究证实了表面活性剂的存在。紫外-可见光谱(UV-VIS)研究表明,带隙中有明显的蓝移,这是量子约束效应的指示。光致发光研究(PL)认为,在λ = 632 nm处,对应于(4T1→6A1)跃迁的一个特征强峰的发射是由于在CdS晶格核心中包含了Mn2+。电子顺磁谱(EPR)研究显示了顺磁行为。EPR的超细分裂常数(A)值约为7mt,证实了在CdS核心的四面体位置包含了Mn2+和N3-。制备的复合纳米粒子的光学和磁性能的变化具有光电和磁致发光器件的潜力。
{"title":"Tunable Paramagnetism in Mn co-doped N:CdS Composite Nanoparticles","authors":"Surya Sekhar Reddy M","doi":"10.13005/ojc/390511","DOIUrl":"https://doi.org/10.13005/ojc/390511","url":null,"abstract":"Manganese-co-doped N:CdS composite nanoparticles (CNps) have been prepared by using the co-precipitation method. 2-Mercaptoethonal is used as a surfactant to control the size of nanoparticles. X-ray diffraction (XRD) studies confirm the size of the particles in the nanorange. The Rietveld refinement with X'-pert high-score software studies show multiphase existence in as-prepared composite nanoparticles. The energy dispersive analyses of X-ray studies (EDAX) confirm the presence of doped Mn and nitrogen elements in CdS. The Fourier transform infrared spectroscopy (FTIR) studies confirm the presence of surfactant. The ultraviolet-visible spectroscopy studies (UV-VIS) show a clear blue shift in the band gap, which is an indication of the quantum confinement effect. The photoluminescence studies (PL) attribute the emission of a characteristically strong peak at λ = 632 nm, corresponding to the (4T1→6A1) transition, to the inclusion of Mn2+ in the core of the CdS lattice. The electron paramagnetic spectroscopy (EPR) studies show paramagnetic behavior. The hyperfine splitting constant (A) values around 7 mT from EPR confirms the inclusion of Mn2+ and N3- in the tetrahedral sites of the CdS core. The variation in optical and magnetic properties of as-prepared composite nanoparticles has the potential for optoelectric and magnetoluminescence devices.","PeriodicalId":19599,"journal":{"name":"Oriental Journal Of Chemistry","volume":"29 2","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136070343","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
期刊
Oriental Journal Of Chemistry
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1