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Methylparaben adsorption on calcined layered double hydroxides: Kinetics and isotherm modeling 对羟基苯甲酸甲酯在煅烧层状双氧水上的吸附：动力学和等温线模型

IF 2.218 Q2 Chemistry

Chemical Data Collections

Pub Date : 2025-06-01 Epub Date: 2025-03-10 DOI: 10.1016/j.cdc.2025.101187

N'guadi Blaise Allou , Patrick Athéba , Jitu Saikia , Kidjoufol Abdoul-Aziz Soro , Aimé Serge Ello

This work aimed to study and model methylparaben (MPB) adsorption on calcined Mg/Al layered double hydroxides (LDH). After the precursor LDH synthesis followed by their calcination completed, adsorption tests were carried out by studying contact time, initial MPB concentration and temperature effects. Data collected from these tests were used to model MPB adsorption mechanism, both in terms of kinetics and isotherm, using several mathematical models. Although pseudo−first−order, Elovich and Bangham models presented acceptable correlation coefficient values, those of pseudo−second−order were much better, indicating that MPB adsorption process on calcined LDH did not follow interstitial diffusion. However, adsorption process would also be limited by extra−particle transport according to Boyd model. As for adsorption isotherm modeling, correlation coefficients comparison added to separation factor

R_{L}

(between 0 and 1) and adsorption intensity

n

(greater than 1) calculated values, it can be retain that Langmuir and Freundlich models indicated favorable adsorption. In addition, the maximum adsorption capacity obtained through Langmuir model was 52.63 mg g⁻¹. Furthermore, from energy point of view, Temkin model would also be suitable to describe MPB adsorption phenomenon on calcined LDH. The latter indicates that adsorption process was exothermic.

本研究旨在研究和模拟对羟基苯甲酸甲酯（MPB）在煅烧Mg/Al层状双氢氧化物（LDH）上的吸附。前驱体LDH合成并煅烧完成后，通过研究接触时间、初始MPB浓度和温度的影响，进行吸附试验。从这些测试中收集的数据用于模拟MPB的吸附机理，包括动力学和等温线，使用几个数学模型。虽然拟一阶、Elovich和Bangham模型的相关系数值可以接受，但拟二阶模型的相关系数值要好得多，表明MPB在焙烧LDH上的吸附过程不遵循间隙扩散。然而，根据Boyd模型，吸附过程也会受到额外粒子输运的限制。对于吸附等温线建模，将分离因子RL（0 ~ 1之间）和吸附强度n（大于1）计算值加入相关系数比较，可以保留Langmuir和Freundlich模型表明吸附有利。Langmuir模型得到的最大吸附量为52.63 mg g−1。此外，从能量的角度来看，Temkin模型也适用于描述MPB在煅烧LDH上的吸附现象。后者表明吸附过程是放热的。

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引用次数: 0

Antibacterial activity of encapsulated essential oil from Citrus aurantifolia peel into chicken eggshell-derived hydroxyapatite 鸡皮羟基磷灰石包封金桔皮精油的抑菌活性

IF 2.218 Q2 Chemistry

Chemical Data Collections

Pub Date : 2025-06-01 Epub Date: 2025-04-09 DOI: 10.1016/j.cdc.2025.101188

Khodijah Maghfiroh , Is Fatimah , Habibi Hidayat , Matkli Dimas Astrianto Saputro , Suresh Sagadevan , Azlan Kamari

The existing work demonstrated the successful preparation of hydroxyapatite (HAp)-encapsulated essential oil from citrus aurantifolia peel (EO/HAp). The hydroxyapatite was synthesized using chicken eggshell as raw material, and preparation of the hybrid material was by spray drying method. Gas chromatography-mass spectrometry analysis of EO shows that α-pinene and d-limonene are the major compounds. X-ray Diffraction and Scanning Electron Microscope analyses demonstrated the formation of pure HAp with the particle size of 89.19 nm. The FTIR analysis towards EO/HAp showed the functional groups assigned to presence of aromatic structures referred to immobilized EO. The hybrid material expressed an excellent antibacterial activity against Staphylococcus aureus and Escherichia coli.

本研究成功制备了羟基磷灰石包封的柑橘果皮精油（EO/HAp）。以鸡蛋壳为原料合成了羟基磷灰石，采用喷雾干燥法制备了复合材料。气相色谱-质谱分析表明，其主要成分为α-蒎烯和d-柠檬烯。x射线衍射和扫描电镜分析表明，形成了纯HAp，粒径为89.19 nm。对EO/HAp的FTIR分析表明，固定化EO的官能团与芳香族结构有关。该杂化材料对金黄色葡萄球菌和大肠杆菌具有良好的抑菌活性。

引用次数: 0

Synthesis and Biological Evaluation of 1,3,4-oxadiazole ring incorporated (pyrimidin-5-yl)indolizine as Anticancer Agents 1,3,4-恶二唑环结合（嘧啶-5-基）吲哚嗪抗癌剂的合成及生物学评价

IF 2.218 Q2 Chemistry

Chemical Data Collections

Pub Date : 2025-06-01 Epub Date: 2025-05-16 DOI: 10.1016/j.cdc.2025.101190

V.Naveen Kumar , Muralasetti Nookaraju , Kumara Swamy Jella , Somaiah Nalla

A new series of 1,3,4-oxadiazole rings incorporated (pyrimidin-5-yl)indolizine (10a-j) and their structures were characterized by analytical data. Further, all these newly synthesized compounds (10a-j) were examined for their preliminary In vitro anticancer profiles towards four human cancer cell lines, such as human breast cancer (MCF-7), human lung cancer (A549), human colon cancer (Colo-205) and human ovarian cancer (A2780) by employing the MTT method. The majority of the compounds exhibited moderate to excellent anticancer activity, as indicated by the results. Notably, compound 10i had the most promising activity.

用分析数据对含有（嘧啶-5-基）吲哚嗪（10a-j）的1,3,4-恶二唑环进行了结构表征。此外，采用MTT法对所有新合成的化合物（10a-j）对人乳腺癌（MCF-7）、人肺癌（A549）、人结肠癌（Colo-205）和人卵巢癌（A2780）等4种人癌细胞进行了初步的体外抑癌活性检测。结果表明，大多数化合物表现出中等至优异的抗癌活性。值得注意的是，化合物10i的活性最有希望。

引用次数: 0

Synthesis, biological and computational analysis of indazole derivatives as alpha-glucosidase and alpha-amylase agents 吲哚唑衍生物作为葡萄糖苷酶和淀粉酶制剂的合成、生物学和计算分析

IF 2.218 Q2 Chemistry

Chemical Data Collections

Pub Date : 2025-06-01 Epub Date: 2025-04-17 DOI: 10.1016/j.cdc.2025.101189

Muzdalifa Murad , Hayat Ullah , Muhammad Sohail , Aleeza Imran , Fazal Rahim , Ali Umar , Muhammad Saleem Khan , Rashid Iqbal

Indazole analogues (1–14) were synthesized, elucidated their structure by using various spectroscopic techniques like ¹HNMR, ¹³CNMR and HREI-MS and evaluated against α-glucosidase and α-amylase enzymes. All derivatives demonstrated better α-glucosidase and α-amylase inhibitory potential with IC₅₀ value ranging from 9.80 ± 0.60 to 47.20 ± 0.10 µM (against α-glucosidase) and 4.70 ± 0.40 to 4.70 ± 0.40 µM (against α-amylase) as compared with the standard drug acarbose (IC₅₀ = 38.45 ± 0.80 & 11.12 ± 0.15 µM, respectively).

In case of α-glucosidase analogues 7 (IC₅₀ = 9.80 ± 0.60 µM), while in case α-amylase analogue 1 (IC₅₀ = 14.70 ± 0.40µM) show most potent inhibitory potential. Furthermore, molecular docking studies were carried out for the binding interaction of the most potent molecule-7, with the enzyme’s active site is primarily influenced by the presence of the di‑chloro group. This group enhances the electron-withdrawing (EW) effect on the aromatic ring, which strengthens hydrophobic interactions in the case of glucosidase inhibition. On the other hand, molecule-1, which contains an electron-donating group (EDG), increases the overall electronic density, thereby facilitating stronger interactions with the enzyme’s active site in the case of amylase inhibition.

合成了吲哚唑类似物（1-14），利用1HNMR、13CNMR和HREI-MS等多种光谱技术对其结构进行了分析，并对α-葡萄糖苷酶和α-淀粉酶进行了评价。与标准药物阿卡波糖（IC50 = 38.45±0.80 &）相比，所有衍生物均表现出更好的α-葡萄糖苷酶和α-淀粉酶抑制潜力，IC50值分别为9.80±0.60 ~ 47.20±0.10µM（对α-葡萄糖苷酶）和4.70±0.40µM（对α-淀粉酶）；11.12±0.15µM)。α-葡萄糖苷酶类似物7 （IC50 = 9.80±0.60µM）和α-淀粉酶类似物1 （IC50 = 14.70±0.40µM）表现出最强的抑制潜力。此外，对最有效的分子-7的结合相互作用进行了分子对接研究，酶的活性位点主要受到二氯基团存在的影响。该基团增强了芳香环上的吸电子（EW）效应，在葡萄糖苷酶抑制的情况下增强了疏水相互作用。另一方面，分子-1含有一个给电子基团（EDG），增加了总电子密度，从而在淀粉酶抑制的情况下促进与酶的活性位点更强的相互作用。

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引用次数: 0

Synthesis, crystal structure and evaluation of the cytotoxic, antimicrobial activity of some S- and N-derivatives of 5-phenyl-1,2,4-triazole-2,4-dihydro-3-thione 5-苯基-1,2,4-三唑-2,4-二氢-3-硫酮的一些S-和n -衍生物的合成、晶体结构及细胞毒性和抗菌活性评价

IF 2.218 Q2 Chemistry

Chemical Data Collections

Pub Date : 2025-03-01 Epub Date: 2025-01-19 DOI: 10.1016/j.cdc.2025.101182

Abdukhakim Ziyaev , Sobirdjan Sasmakov , Rasul Okmanov , Utkir Makhmudov , Turdibek Toshmurodov , Мavluda Ziyaeva , Nigora Tosheva , Shakhnoz Azimova

In this work, we report the synthesis of several S- and N-derivatives of 5-phenyl-1,2,4-triazole-2,4-dihydro-3-thione (3–6). Methods for the preparation of these compounds were based on the alkylation and aminomethylation reactions of triazolethione (2). The target products were obtained in high (85–98%) yield. The structures of the synthesized compounds were confirmed by IR, ¹H and ¹³C NMR spectroscopy, mass spectrometry, and selective X-ray diffraction analysis. All compounds were tested in vitro against four human cancer cells (HeLa, HBL-100, HEp-2, CCRF-CEM), gram-positive (Staphylococcus aureus, Bacillus subtilis) and gram-negative bacteria (Escherichia coli, Pseudomonas aeruginosa), as well as the opportunistic fungus Candida albicans.

在这项工作中，我们报道了几种5-苯基-1,2,4-三唑-2,4-二氢-3-硫酮的S-和n -衍生物的合成（3-6）。这些化合物的制备方法是基于三唑硫酮(2)的烷基化和胺甲基化反应。目标产物的收率高（85-98%）。通过IR、1H、13C NMR、质谱、选择性x射线衍射等方法对合成化合物的结构进行了确证。所有化合物在体外对四种人类癌细胞（HeLa, HBL-100, HEp-2, CCRF-CEM），革兰氏阳性（金黄色葡萄球菌，枯草芽孢杆菌）和革兰氏阴性细菌（大肠杆菌，铜绿假单胞菌）以及机会性真菌白色念珠菌进行了测试。

引用次数: 0

Crystal structure of 3-methyl-2,6-diphenyl-1-(2-thiocyanatoacetyl)piperidin-4-one: A combined experimental and theoretical study 3-甲基-2,6-二苯基-1-（2-硫氰酸乙酰基）胡椒碱-4- 1晶体结构的实验与理论结合研究

IF 2.218 Q2 Chemistry

Chemical Data Collections

Pub Date : 2025-03-01 Epub Date: 2025-01-28 DOI: 10.1016/j.cdc.2025.101183

Karthiga A． R , Divyabharathi S , Reshwen Shalo R , Rajeswari K , Vidhyasagar T

The structure of 3-methyl-2,6-diphenyl-1-(2-thiocyanatoacetyl)piperidin-4-one (3) was elucidated through single-crystal X-ray diffraction, revealing a distorted boat conformation of the piperidine ring. Phenyl and methyl groups occupy equatorial positions, with another phenyl group positioned axially. Molecular packing is stabilized by C–H⋯N, C–H⋯O and C–H⋯π interactions. DFT optimization at the B3LYP/6–311++G(d, p) level showed excellent agreement with experimental geometry, validating the model. HOMO-LUMO analysis revealed the electronic properties, while Mulliken charge and MEP identified reactivity and binding sites. Hirshfeld surface analysis quantified intermolecular interactions, highlighting H⋯H contacts (41.8 %), with energy framework analysis emphasizing dispersion forces. Docking studies with 3ERT protein demonstrated favorable interactions, supporting its anticancer potential. ADME predictions confirmed a suitable pharmacokinetic profile, underscoring its drug development potential. This study integrates crystallographic, computational, and biological evaluations showcasing the structural and therapeutic significance of the compound.

通过单晶x射线衍射对3-甲基-2,6-二苯基-1-（2-硫氰酸乙酰基）哌啶-4- 1(3)的结构进行了解析，发现哌啶环呈扭曲的船形构象。苯基和甲基占据赤道位置，另一个苯基在轴向位置。分子堆积由C-H⋯N、C-H⋯O和C-H⋯π相互作用稳定。B3LYP/ 6-311 ++G（d, p）水平的DFT优化结果与实验几何形状吻合良好，验证了模型的正确性。HOMO-LUMO分析揭示了电子性质，Mulliken电荷和MEP分析确定了反应性和结合位点。Hirshfeld表面分析量化了分子间的相互作用，突出了H⋯H接触（41.8%），能量框架分析强调了色散力。与3ERT蛋白的对接研究显示了良好的相互作用，支持其抗癌潜力。ADME预测证实了合适的药代动力学特征，强调了其药物开发潜力。本研究综合了晶体学、计算学和生物学评价，展示了该化合物的结构和治疗意义。

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引用次数: 0

Comprehensive investigation on synthesis, computational, antioxidant, antimicrobial, and bio-imaging studies of salicylaldehyde-based Schiff bases 水杨醛基席夫碱的合成、计算、抗氧化、抗菌和生物成像研究的综合研究

IF 2.218 Q2 Chemistry

Chemical Data Collections

Pub Date : 2025-03-01 Epub Date: 2025-02-01 DOI: 10.1016/j.cdc.2025.101184

Unnati P. Patel , Shweta P. Thakar , Krishna Desai , Ranjitsinh C. Dabhi , Suryajit L. Rathod , Pranav S. Shrivastav , Jayesh J. Maru

The escalating resistance to antimicrobial drugs has become a significant public health concern, presenting significant challenges to the treatment and control of bacterial infections, thereby calling for the development of novel antimicrobial agents. Previous studies have reported diverse biological applications of Schiff bases, including antimicrobial, antiviral, and antimalarial. In that regard, we synthesized a series of salicylaldehyde-based Schiff base derivatives and analyzed their chemical structures using IR spectroscopy, ¹H NMR, ¹³C NMR, mass spectrometry, and elemental analysis. The synthesized compounds were evaluated for their antimicrobial and antioxidant activities. Further, computational molecular docking was used to assess the drug-likeness properties of seventeen newly synthesized Schiff bases. These compounds were tested against two bacterial protein targets, namely PDB ID: 3UDI and 4CJN. Additionally, molecular dynamics simulations of over 100 ns were performed to monitor the complex's behavior and assess its stability over time. The outcomes revealed that the simulated complex remained stable throughout the simulation period. Moreover, the compounds CF5 and CF15 were then employed for bio-imaging studies using nematodes as a model organism.

对抗菌药物的耐药性不断升级已成为一个重大的公共卫生问题，对细菌感染的治疗和控制提出了重大挑战，因此要求开发新的抗菌药物。先前的研究报道了希夫碱的多种生物学应用，包括抗菌、抗病毒和抗疟疾。为此，我们合成了一系列基于水杨醛的希夫碱衍生物，并利用红外光谱、1H NMR、13C NMR、质谱和元素分析分析了它们的化学结构。对合成的化合物进行了抗菌和抗氧化活性评价。此外，计算分子对接用于评估17个新合成的希夫碱的药物相似性质。这些化合物对两个细菌蛋白靶点进行了测试，即PDB ID: 3UDI和4CJN。此外，进行了超过100 ns的分子动力学模拟，以监测配合物的行为并评估其随时间的稳定性。结果表明，模拟复合物在整个模拟期间保持稳定。此外，化合物CF5和CF15随后被用于以线虫为模式生物的生物成像研究。

{"title":"Comprehensive investigation on synthesis, computational, antioxidant, antimicrobial, and bio-imaging studies of salicylaldehyde-based Schiff bases","authors":"Unnati P. Patel , Shweta P. Thakar , Krishna Desai , Ranjitsinh C. Dabhi , Suryajit L. Rathod , Pranav S. Shrivastav , Jayesh J. Maru","doi":"10.1016/j.cdc.2025.101184","DOIUrl":"10.1016/j.cdc.2025.101184","url":null,"abstract":"<div><div>The escalating resistance to antimicrobial drugs has become a significant public health concern, presenting significant challenges to the treatment and control of bacterial infections, thereby calling for the development of novel antimicrobial agents. Previous studies have reported diverse biological applications of Schiff bases, including antimicrobial, antiviral, and antimalarial. In that regard, we synthesized a series of salicylaldehyde-based Schiff base derivatives and analyzed their chemical structures using IR spectroscopy, <sup>1</sup>H NMR, <sup>13</sup>C NMR, mass spectrometry, and elemental analysis. The synthesized compounds were evaluated for their antimicrobial and antioxidant activities. Further, computational molecular docking was used to assess the drug-likeness properties of seventeen newly synthesized Schiff bases. These compounds were tested against two bacterial protein targets, namely PDB ID: <span><span>3UDI</span><svg><path></path></svg></span> and <span><span>4CJN</span><svg><path></path></svg></span>. Additionally, molecular dynamics simulations of over 100 ns were performed to monitor the complex's behavior and assess its stability over time. The outcomes revealed that the simulated complex remained stable throughout the simulation period. Moreover, the compounds <strong>CF5</strong> and <strong>CF15</strong> were then employed for bio-imaging studies using nematodes as a model organism.</div></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"56 ","pages":"Article 101184"},"PeriodicalIF":2.218,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143097212","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

Theoretical and experimental research of the ability of quinolin-8-ol compound derivative to inhibit C-steel corrosion in a molar hydrochloric acid environment 喹啉-8-醇化合物衍生物在摩尔盐酸环境中抑制c -钢腐蚀能力的理论和实验研究

IF 2.218 Q2 Chemistry

Chemical Data Collections

Pub Date : 2025-03-01 Epub Date: 2025-01-07 DOI: 10.1016/j.cdc.2025.101181

N. Timoudan , A. Barrahi , L. Adlani , Abhinay Thakur , M. Rbaa , F. Benhiba , R. Hsissou , I. Warad , H. Zarrok , B. Lakhrissi , G. Kaichouh , F. Bentiss , A. Zarrouk

In this work, the effectiveness of 5-((2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazol-1-yl)methyl)quinoline-8-ol (NDIQ) as a corrosion inhibitor for carbon- steel (C/steel) of 1.0 M hydrochloric acid was examined using electrochemical methods, scanning electron microscopy (SEM-EDS), and ultraviolet-visible spectrophotometry (UV–Vis). At a concentration of 1 × 10⁻³M and a T of 303 K, the highest corrosion inhibition efficiency of NDIQ reached 97.4 %. The results gathered through polarization curve analysis (PCA) showed that NDIQ acts as a mixed/type inhibitor. Additionally, the adsorption of molecules onto the C/steel surface was modeled using density functional theory, and molecular dynamics simulations (DFT-MD). Theoretical studies based on quantum chemistry and molecular dynamics simulations confirmed the remarkable adsorption of quinoline-8-ol on the metal sample.

本文采用电化学、扫描电子显微镜（SEM-EDS）和紫外可见分光光度法（UV-Vis）研究了5-(（2-（4-硝基苯基）-4,5-二苯基- 1h -咪唑-1-基）甲基喹啉-8-醇（NDIQ）作为碳钢（C/钢）在1.0 M盐酸中的缓蚀效果。在浓度为1 × 10−3M、温度为303 K时，NDIQ的缓蚀效率最高，达到97.4%。极化曲线分析（PCA）结果表明，NDIQ为混合型缓蚀剂。此外，利用密度泛函理论和分子动力学模拟（DFT-MD）模拟了分子在C/钢表面的吸附。基于量子化学和分子动力学模拟的理论研究证实了喹啉-8-醇在金属样品上的显著吸附。

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引用次数: 0

New 1,2,3-Benzotriazole-based thiourea analogues: Synthesis, alpha-glucosidase, urease activities and molecular docking study 新的1,2,3-苯并三唑基硫脲类似物：合成、α -葡萄糖苷酶、脲酶活性及分子对接研究

IF 2.218 Q2 Chemistry

Chemical Data Collections

Pub Date : 2025-03-01 Epub Date: 2025-01-28 DOI: 10.1016/j.cdc.2025.101185

Urooba Khan , Shawkat Hayat , Muhammad Nabi , Hayat Ullah , Ali Umar , Muhammad Saleem Khan , Fazal Rahim , Muhammad Azam Khan , Rashid Iqbal , Farzana Gul , Muhammed Perviaz

-Benzotriazole-based thiourea analogues (1–13) were synthesized, characterized through different techniques such as ¹H-NMR, ¹³C-NMR, and HREI-MS, and evaluated against alpha-glucosidase and urease enzymes. All synthesized analogues exhibited variable inhibitory potential, with IC₅₀ values ranging from 2.30 ± 0.10 to 19.40 ± 0.20 µM (against α-glucosidase) as compared to standard drug acarbose (IC₅₀ = 12.30 ± 1.10 µM) and 8.50 ± 0.30 to 27.60 ± 0.40 µM (against urease) as compared to standard drug thiourea (IC₅₀ = 19.20 ± 0.21 µM). In case of α-glucosidase, analogues 12 (IC₅₀ = 2.30 ± 0.10 µM) exhibited many times better activity than standard drug acarbose, while in case of urease, compounds 7 (IC₅₀ = 8.50 ± 0.30 µM) showed many times better activity than standard drug thiourea. Analogue 13 showed the least activity in both cases. We performed molecular docking studies to demonstrate the binding interaction of the most active scaffolds with the enzyme's active site. All compounds were verified for cytotoxicity against the 3T3 mouse fibroblast cell line and detected as non-toxic.

合成了基于苯并三唑的硫脲类似物（1-13），通过1H-NMR、13C-NMR和HREI-MS等不同技术对其进行了表征，并对α -葡萄糖苷酶和脲酶进行了评价。所有合成的类似物均表现出不同的抑制电位，与标准药物阿卡波糖（IC50 = 12.30±1.10µM）相比，对α-葡萄糖苷酶的IC50值为2.30±0.10 ~ 19.40±0.20µM；与标准药物硫脲（IC50 = 19.20±0.21µM）相比，对脲酶的IC50值为8.50±0.30 ~ 27.60±0.40µM。在α-葡萄糖苷酶方面，类似物12 （IC50 = 2.30±0.10µM）的活性比标准药物阿卡波糖高数倍；在脲酶方面，类似物7 （IC50 = 8.50±0.30µM）的活性比标准药物硫脲高数倍。模拟物13在两种情况下都显示出最少的活性。我们进行了分子对接研究，以证明最活跃的支架与酶的活性位点的结合相互作用。所有化合物均对3T3小鼠成纤维细胞系具有细胞毒性，检测为无毒。

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引用次数: 0

Synthesis and biological evaluation of aryl amide derivatives of pyridine-imidazo[1,2-a]pyrazine-oxazole as anticancer agents 吡啶-咪唑[1,2-a]吡嗪-恶唑芳基酰胺类抗癌药物的合成及生物学评价

IF 2.218 Q2 Chemistry

Chemical Data Collections

Pub Date : 2025-02-01 Epub Date: 2024-12-15 DOI: 10.1016/j.cdc.2024.101176

Narendhar Reddy Vanam , Prakash Gadipelli , Jaya Shree Anireddy

A new series of aryl amide derivatives of pyridine-imidazo[1,2-a]pyrazine-oxazoles (15a-j) has been designed, synthesized and screened for their anticancer activity against MCF-7 (human breast cancer), A549 (human lung cancer), Colo-205 (human colon cancer) and A2780 (human ovarian cancer) cell lines by using MTT reduction assay protocol with etoposide (Etoposide) as standard drug. Among the synthesized derivatives, the compound 15a with trimethoxy electron donating substituent showed potent anticancer activity against MCF-7, A549, Colo-205, and A2780 cell lines with IC₅₀ values of 0.03 ± 0.0043 µM; 0.02 ± 0.0077 µM; 0.12 ± 0.066 µM; and 0.17 ± 0.059 µM respectively.

以依托泊苷（etoposide, etoposide）为标准药物，设计、合成了一系列新的吡啶-咪唑[1,2- A]吡嗪-恶唑（15a-j）芳基酰胺衍生物，并对MCF-7（人乳腺癌）、A549（人肺癌）、Colo-205（人结肠癌）和A2780（人卵巢癌）细胞系进行了MTT还原实验，筛选了它们的抗癌活性。在所合成的衍生物中，含三甲氧基给电子取代基的化合物15a对MCF-7、A549、Colo-205和A2780细胞株具有较强的抗癌活性，IC50值为0.03±0.0043µM；0.02±0.0077µm；0.12±0.066µm；和0.17±0.059µM。

引用次数: 0

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