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Evolution of photocatalytic and dielectric properties of bismuth ferrite nanoparticles with Cr doping
IF 2.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-12-27 DOI: 10.1007/s13738-024-03152-1
Jamal Ahmad Khan, Irfan Ahmad, Mohammad Jawaid, Aatikah Meraj, Shoaib Mukhtar, Jaya Lakkakula, Imran Uddin

The degradation of dyes in the wastewater from the industrial wastes has been an environment concern with the rapid industrialization of the economy, requiring the need for the development of dye degradation strategies. In the present work, we employed a facile sol–gel method for the synthesis of Cr-doped bismuth ferrite (BFO) nanoparticles. The as-prepared nanoparticles were exploited to degrade the Eosin-Y dye under visible light irradiation. The XRD measurement confirmed the formation of pure phase BiFeO3 nanoparticles, with average crystallite size varying from 32.13 to 17.38 nm for pristine and 5% Cr-doped BFO samples, respectively. The XPS measurements were performed to ascertained the chemical state of the elements present in the BFO sample. The band gap of BFO was observed to evolve from 2.12 to 2.18 eV with Cr doping, indicating high light absorbing capability particularly within the visible spectrum. SEM and TEM was used to examine the morphological characteristics of the prepared samples. The photocatalytic degradation of the Eosin-Y dye was investigated under visible light with the doped as well as the undoped samples. A highest photodegradation efficiency of 80.6% for the time period of 75 min have been achieved for the 5% Cr-doped BFO samples. This work provides a new insight for the application of Cr-doped BFO nanoparticles for the remediation of industrial wastewater.

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引用次数: 0
Synthesis and evaluation of potential multitargeted ligands based on chromene analogs for suppressing lysozyme amyloid aggregation
IF 2.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-12-27 DOI: 10.1007/s13738-024-03155-y
Hassan Fazelinejad, Reza Tayebee, Shahrbanoo Rostami

The formation, accumulation, and deposition of proteins aggregates are fundamental pathological characteristics underlying various disease states. Thus, the discovery and development of innovative compounds capable of impeding amyloid formation and mitigating its associated toxicity represent a highly promising therapeutic strategy. This study focused on developing a series of 2‐Amino‐4‐(phenyl) ‐3‐cyano‐4H,5H-pyrano[3,2‐c] chromene‐5‐one derivatives as multitargeted directed ligands (MTDLs) for inhibition of amyloid aggregation. The compounds were evaluated for their capacity to hinder amyloid formation by hen egg white lysozyme (HEWL), a well-established model protein for amyloid investigations. The inhibitory impact of the compounds was assessed through a range of methods, such as Congo red and Thioflavin T binding assays, atomic force microscopy, and cell-based cytotoxicity assays. The results provide compelling evidence that all tested compounds effectively inhibit HEWL amyloid fibril formation and reduce its associated cytotoxicity with different efficiencies. Our investigation reveals those hydrophobic substituents, such as -O-Methyl and -NO2, significantly enhance the inhibitory potential of our compound's basic structure, while the presence of -Br diminishes it. Methoxy and nitro substituents exhibit a greater affinity for participating in hydrogen bonding, potentially leading to an augmented inhibitory efficacy when compared to bromo derivatives. The results highlight the importance of hydrophobicity, aromaticity, and hydrogen bonding capability in determining the amyloid inhibition activity exhibited by our compounds. These findings provide valuable insights for future rational designs of amyloid inhibitors for potential therapeutic interventions in amyloid-associated diseases.

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引用次数: 0
Congo red dye removal from aqueous solution using Algerian clay: adsorption isotherms, thermodynamics, and kinetics 用阿尔及利亚粘土从水溶液中去除刚果红染料:吸附等温线,热力学和动力学
IF 2.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-12-25 DOI: 10.1007/s13738-024-03141-4
Bouchra Mekidiche, Khadidja Khaldi, Ahmed Dali, Sanaa El Korso, Abderrahim Choukchou-Braham, Ilhem Rekkab-Hammoumraoui

The development of natural adsorbents that are abundant, cost-effective, and efficient for the treatment of ecosystems is a significant challenge. In this study, the sorption of Congo red, as a toxic dye, from aqueous media was investigated using an Algerian clay sample from the western town of Maghnia as a low-cost adsorbent that has undergone simple purification. Different parameters such as contact time (5–120 min), initial dye concentration (5–20 mg/L), solution pH (4–12), adsorbent weight (10–100 mg), and temperature (15–50 °C) have been investigated. The equilibrium (9.8 mg g−1) was obtained for a contact time of 60 min, and the maximum sorption occurred at pH 8.5. The adsorption kinetic followed the pseudo-second-order kinetic model with a high degree of correlation coefficient (R2 = 0.99). The adsorption isotherm showed an appropriate fit to the Freundlich model. Thermodynamic investigations revealed that the adsorption process is feasible, spontaneous, and endothermic. These results demonstrate that Algerian clay can be employed as a low-cost alternative for the removal of recalcitrant dyes from industrial wastewater.

开发丰富、经济、高效的天然吸附剂处理生态系统是一项重大挑战。在这项研究中,研究了从水介质中吸收刚果红作为一种有毒染料,使用来自西部城镇Maghnia的阿尔及利亚粘土样品作为一种经过简单纯化的低成本吸附剂。研究了接触时间(5-120 min)、初始染料浓度(5-20 mg/L)、溶液pH(4-12)、吸附剂重量(10-100 mg)和温度(15-50℃)等不同参数。在接触时间为60 min时达到平衡(9.8 mg g−1),在pH为8.5时达到最大吸附。吸附动力学符合准二级动力学模型,相关系数高(R2 = 0.99)。吸附等温线符合Freundlich模型。热力学研究表明,吸附过程是可行的、自发的、吸热的。这些结果表明,阿尔及利亚粘土可以作为一种低成本的替代方法,从工业废水中去除顽固染料。
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引用次数: 0
Synthesis and biological evaluation of novel coumarin derivatives bearing sulfonamide moiety as potent α-glucosidase inhibitors 含有磺酰胺部分的新型α-葡萄糖苷酶抑制剂香豆素衍生物的合成及生物学评价
IF 2.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-12-24 DOI: 10.1007/s13738-024-03143-2
Alim Alsukor, Nurul Alam Inayatsyah, Mohamad Jemain Mohamad Ridhwan, Noraini Kasim, Syahrul Imran

Acarbose, miglitol and voglibose are α-glucosidase enzyme inhibitors that are clinically used to treat type-II diabetes mellitus. However, they are also associated with several adverse side effects. In this study, a series of sulfonamide-substituted coumarin was synthesised in a three-step reaction from precursor, 2-oxo-2H-chromene-3-carboxylic acid. The structure of all synthesised compounds was confirmed using NMR, FTIR and LCMS analysis and found to be in good agreement with the calculated values. Synthesised coumarin derivatives were screened for their in vitro α-glucosidase inhibitory activity. Besides compound 8, 15 compounds demonstrated good to excellent inhibitory activity with the IC50 values ranging from 40.6 to 2021 µM as compared to acarbose (IC50 = 3410 ± 1.54 µM). A structure–activity relationship was established to form correlation of the substituents effect with inhibitory activity. It was found that chlorine substituent played an important role in the activity compared to other halogen substituents. Derivatives showing inhibition activity were subjected to docking studies to identify the binding modes contributing towards the inhibition activity.

阿卡波糖、米格列醇和伏糖糖是α-葡萄糖苷酶抑制剂,临床上用于治疗ii型糖尿病。然而,它们也与一些不良副作用有关。本研究以2-氧- 2h -铬-3-羧酸为前体,通过三步反应合成了一系列磺胺取代香豆素。所有合成化合物的结构均经核磁共振、红外光谱和质谱分析证实,与计算值吻合良好。对合成的香豆素衍生物进行体外α-葡萄糖苷酶抑制活性筛选。除化合物8外,还有15种化合物表现出较好的抑制活性,IC50值为40.6 ~ 2021µM,与阿卡波糖相比(IC50 = 3410±1.54µM)。建立了取代基效应与抑制活性之间的构效关系。与其他卤素取代基相比,氯取代基对活性的影响更大。对具有抑制活性的衍生物进行对接研究,以确定有助于抑制活性的结合模式。
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引用次数: 0
Recent advances in the synthesis of nitrogen-containing heterocyclic compounds via multicomponent reaction and their emerging biological applications: a review 多组分反应合成含氮杂环化合物的研究进展及其在生物领域的应用
IF 2.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-12-23 DOI: 10.1007/s13738-024-03142-3
Mallappa, Mamta Chahar, Nisha Choudhary, Krishna Kumar Yadav, Maytham T. Qasim, Rustem Zairov, Ashish Patel, Virendra Kumar Yadav, Mukesh Jangir

Nitrogen-containing heterocyclic compounds (NCHCs) have an important role in the field of medicinal chemistry due to their extensive biological activities and their prevalence in natural compounds, pharmaceuticals, and materials science. Here, we have reviewed the recent advancements in the formulation of NCHCs via multicomponent reactions (MCRs). These reactions, which allow the efficient and eco-friendly formulation of complex molecules, have revolutionized the synthesis of heterocycles such as triazoles, imidazoles, pyrazoles, pyrimidines, and pyridazines. This review has further emphasized the key MCR strategies, including the Biginelli, Ugi, Hantzsch, and Passerini reactions, highlighting their mechanisms, scope, and applications in drug discovery. Finally, we have emphasized the biological evaluation of synthesized NCHCs possessing several pharmacological features like antiallergic, anti-inflammatory, anticancer, antimicrobial, neurological, and analgesic activities. The synthesis of specific NCHC scaffolds and their structure–activity relationships are also explored, emphasizing the significance of these compounds in the development of novel therapeutics.

含氮杂环化合物(NCHCs)由于其广泛的生物活性以及在天然化合物、药物和材料科学中的广泛应用,在药物化学领域具有重要的作用。本文综述了近年来通过多组分反应合成NCHCs的研究进展。这些反应使得复杂分子的合成高效且环保,彻底改变了杂环化合物的合成,如三唑、咪唑、吡唑、嘧啶和吡嗪。本文进一步介绍了主要的MCR策略,包括Biginelli、Ugi、Hantzsch和Passerini反应,重点介绍了它们的机制、范围和在药物发现中的应用。最后,我们强调了合成的NCHCs具有抗过敏、抗炎、抗癌、抗菌、神经和镇痛等药理特性的生物学评价。本文还探讨了特异性NCHC支架的合成及其构效关系,强调了这些化合物在新型治疗药物开发中的重要意义。
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引用次数: 0
Deep eutectic solvent-modified magnetic NiFe2O4 polyamidoamine dendrimers for the simultaneous separation and extraction of naproxen and nabumetone and determination by HPLC: isotherm and thermodynamic study
IF 2.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-12-21 DOI: 10.1007/s13738-024-03153-0
Maryam Dehghani Soltani, Shayessteh Dadfarnia, Ali Mohammad Haji Shabani

A novel dispersive magnetic micro-solid-phase extraction (DM-µ-SPE) method based on the magnetic NiFe2O4 polyamidoamine dendrimers modified with deep eutectic solvent sorbent has been developed for the extraction of naproxen and nabumetone. The extracted analytes were quantified by a high-performance liquid chromatographic (HPLC) method with UV detection at 280 nm. The linearity was in the range of 1–400 µg L−1 for naproxen and 3–400 µg L−1 for nabumetone. The developed DM-µ-SPE/HPLC–UV method has been characterized by excellent intra- and inter-day repeatability of 2.3, 3.3, and 2.5, 4.0%, respectively, for naproxen and nabumetone at the concentration level of 70.0 µg L−1 (n = 5). Enhancement factors of 157.7 and 151.8 and limit of detections of 0.15 µg L−1 and 0.26 µg L−1 for naproxen and nabumetone were achieved, respectively. The sorption isotherm study illustrated that the experimental data of NAP fitted better to the Langmuir isotherm with a maximum monolayer sorption capacity of 76.92 mg g−1, while the NAB data fitted to the Temkin isotherm model. The method was successfully applied to the determination of non-steroidal anti-inflammatory drug analytes in water and milk samples.

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引用次数: 0
Establishment of purification techniques for alpha-lipoic acid derivative, sodium zinc histidine dithiooctanamide using ethanol-based crystallization and suspension methods
IF 2.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-12-20 DOI: 10.1007/s13738-024-03151-2
Naoya Ohmori, Takamitsu Miyagi, Toshiaki Nakano, Simon Peter Bahau, Yohei Kono, Toshikazu Adachi, Satoshi Hiratsuka, Shigeru Goto, Masafumi Inomata, Takeshi Goto

Alpha-lipoic acid (LA) has become a common ingredient in multivitamin formulas, anti-aging supplements, and even pet food. It is well defined as a therapy for preventing diabetic polyneuropathies, scavenges free radicals, chelates metals, and restores intracellular glutathione levels which otherwise decline with age.

Sodium zinc histidine dithiooctanamide (DHL-HisZn_Na) is a water-soluble substance, with strong antioxidant and anti-inflammatory properties, similar to α-lipoic acid with histidine bound to α-lipoic acid and zinc chelated with sulfur atoms. DHL-HisZn_Na slowly loses its stability under dry conditions in the dark and under refrigeration. Purification is essential for use after long-term storage. In this study, ethanol crystallization and suspension methods were utilized in development for the first time as purification methods for DHL-HisZn_Na.

{"title":"Establishment of purification techniques for alpha-lipoic acid derivative, sodium zinc histidine dithiooctanamide using ethanol-based crystallization and suspension methods","authors":"Naoya Ohmori,&nbsp;Takamitsu Miyagi,&nbsp;Toshiaki Nakano,&nbsp;Simon Peter Bahau,&nbsp;Yohei Kono,&nbsp;Toshikazu Adachi,&nbsp;Satoshi Hiratsuka,&nbsp;Shigeru Goto,&nbsp;Masafumi Inomata,&nbsp;Takeshi Goto","doi":"10.1007/s13738-024-03151-2","DOIUrl":"10.1007/s13738-024-03151-2","url":null,"abstract":"<div><p>Alpha-lipoic acid (LA) has become a common ingredient in multivitamin formulas, anti-aging supplements, and even pet food. It is well defined as a therapy for preventing diabetic polyneuropathies, scavenges free radicals, chelates metals, and restores intracellular glutathione levels which otherwise decline with age.</p><p>Sodium zinc histidine dithiooctanamide (DHL-HisZn_Na) is a water-soluble substance, with strong antioxidant and anti-inflammatory properties, similar to α-lipoic acid with histidine bound to α-lipoic acid and zinc chelated with sulfur atoms. DHL-HisZn_Na slowly loses its stability under dry conditions in the dark and under refrigeration. Purification is essential for use after long-term storage. In this study, ethanol crystallization and suspension methods were utilized in development for the first time as purification methods for DHL-HisZn_Na.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"22 2","pages":"325 - 335"},"PeriodicalIF":2.2,"publicationDate":"2024-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143184861","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Solvothermal method synthesized SnS nanoplates composites for electrochemical sensing of toxic ions Hg2+ and Pb2+ 溶剂热法制备了用于有毒离子Hg2+和Pb2+电化学传感的SnS纳米片复合材料
IF 2.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-12-18 DOI: 10.1007/s13738-024-03145-0
Vijaya Talapatadur, S. S. Hegde, N. Basavaraju, K. Ramesh

Tin sulfide (SnS) semiconductors have become emerging sensor materials for the electrochemical sensing of heavy metals in trace amounts due to their supportive electrochemical properties. This study reports the synthesis, characterization of SnS/rGO composites and sensing of mercury and lead ions in an aqueous solution. SnS/rGO composites with the proper loading of rGO concentration were synthesized using simple solvothermal method and applied for sensing the heavy metals of mercury and lead ions. The synthesized samples were characterized by XRD, FE-SEM, TEM, FTIR and Raman spectroscopy to study the structure and morphology of the samples. Cyclic voltammetry and AC impedance were used to characterize the samples for electrochemical detection of toxic metals Hg and Pb ions. The XRD analysis reveals that the average crystallite of SnS/rGO nanoplates is in the range of 56–67 nm and was confirmed by TEM. FE-SEM analysis reveals the formation of nanoplates on rGO sheets. Raman spectroscopy and FTIR analysis confirm the presence of rGO and the composition of the prepared sample. The electrochemical sensing of SnS and SnS/rGO nanoplates with graphite powder in 0.1 M KOH solution showed good reversibility and was applied for sensing of HgCl2 and PbCl2 with a quick response time of 2 s. The LOD for Hg and Pb ions was found to be 47.3–65.3 ppm, respectively. All the prepared electrodes of SnS and SnS/rGO composites could be effectively supported by the electrochemical sensing response to HM ions in alkali medium.

硫化锡半导体由于具有良好的电化学性能,已成为痕量重金属电化学传感的新兴传感材料。本研究报道了SnS/rGO复合材料的合成、表征以及对水溶液中汞和铅离子的传感。采用简单溶剂热法合成了负载适当rGO浓度的SnS/rGO复合材料,并将其应用于重金属汞和铅离子的检测。采用XRD、FE-SEM、TEM、FTIR和拉曼光谱对合成样品进行了表征,研究了样品的结构和形貌。采用循环伏安法和交流阻抗法对样品进行了表征,用于电化学检测有毒金属Hg和Pb离子。XRD分析表明,SnS/rGO纳米板的平均晶型在56 ~ 67 nm之间,TEM也证实了这一点。FE-SEM分析揭示了氧化石墨烯薄片上纳米板的形成。拉曼光谱和红外光谱分析证实了氧化石墨烯的存在和制备样品的组成。石墨粉对SnS和SnS/rGO纳米板在0.1 M KOH溶液中的电化学传感表现出良好的可逆性,并应用于对HgCl2和PbCl2的传感,响应时间可达2 s。Hg和Pb离子的LOD分别为47.3 ~ 65.3 ppm。制备的SnS和SnS/rGO复合材料电极在碱介质中对HM离子的电化学传感响应均能有效支撑电极。
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引用次数: 0
Simulation-based insights into Remdesivir coating on Ag nanoparticles for optimized COVID-19 drug delivery
IF 2.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-12-16 DOI: 10.1007/s13738-024-03147-y
Seyedeh Seddigheh Mousavian, Farhad Shirini, Hossein Taherpour Nahzomi

Remdesivir (RDV) is a drug that exhibits broad-spectrum antiviral against RNA viruses, and so this drug could be an appropriate therapeutic candidate. To increase the therapeutic efficiency of Remdesivir, nanoparticles are employed to prolong bioavailability and facilitate targeted delivery in the body and the drug transportation. In this study, we employed classical atomistic molecular dynamics simulations to characterize the adsorption properties of this compound on Ag nanoparticles. The simulation results show that Remdesivir molecules adsorb onto the surface of Ag nanoparticles in a size-dependent manner, so that smaller AgNPs exhibit a higher degree of Remdesivir coating than larger ones. The results also show that the coating of Remdesivir molecules on nanoparticles can improve their pharmacokinetic properties in vivo studies. These findings provide a basis for designing nanoparticle-based drug delivery systems.

{"title":"Simulation-based insights into Remdesivir coating on Ag nanoparticles for optimized COVID-19 drug delivery","authors":"Seyedeh Seddigheh Mousavian,&nbsp;Farhad Shirini,&nbsp;Hossein Taherpour Nahzomi","doi":"10.1007/s13738-024-03147-y","DOIUrl":"10.1007/s13738-024-03147-y","url":null,"abstract":"<div><p>Remdesivir (RDV) is a drug that exhibits broad-spectrum antiviral against RNA viruses, and so this drug could be an appropriate therapeutic candidate. To increase the therapeutic efficiency of Remdesivir, nanoparticles are employed to prolong bioavailability and facilitate targeted delivery in the body and the drug transportation. In this study, we employed classical atomistic molecular dynamics simulations to characterize the adsorption properties of this compound on Ag nanoparticles. The simulation results show that Remdesivir molecules adsorb onto the surface of Ag nanoparticles in a size-dependent manner, so that smaller AgNPs exhibit a higher degree of Remdesivir coating than larger ones. The results also show that the coating of Remdesivir molecules on nanoparticles can improve their pharmacokinetic properties in vivo studies. These findings provide a basis for designing nanoparticle-based drug delivery systems. </p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"22 2","pages":"271 - 281"},"PeriodicalIF":2.2,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143184742","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Anticancer activity of new quinolinyl–benzothiazolyl clubbed with amino acids and their in-silico studies 新型喹啉基苯并噻唑基氨基酸棒状化合物的抗癌活性及其硅晶化研究
IF 2.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-12-12 DOI: 10.1007/s13738-024-03144-1
S. Shashidhar Bharadwaj, Boja Poojary, Sathish Kumar Boda, T. Shubhavathi, Vinuta Kamat, Bhuvanesh Sukhlal Kalal

A lot of research is focused on creating novel chemotherapeutic medicines since cancer is becoming a more serious concern. In the present investigation, we have developed some quinolinyl–benzothiazolyl linked with amino acids and their anticancer efficacy against melanoma and breast cancer cells evaluated. All the compounds evaluated for in silico studies towards the target protein Human estrogen receptor (PDB: 2IOK). Out of all the evaluated aminoacids conjugates four compounds 5b, 5 k, 5f, and 5d exhibited remarkable docking scores and were chosen for in vitro anticancer studies. Out of which 5 k, and 5f exhibited good anticancer properties with the IC50[μg/mL] of 22.9 and 22.3 respectively against the melanoma cell line and 5b exhibited good anticancer properties with the IC50[μg/mL] of 61.0 against breast cancer cell.

Graphical Abstract

自从癌症成为一个更严重的问题以来,许多研究都集中在创造新的化疗药物上。在本研究中,我们开发了一些与氨基酸连接的喹啉基苯并噻唑,并评价了它们对黑色素瘤和乳腺癌细胞的抗癌作用。所有化合物都被评估为针对靶蛋白人雌激素受体(PDB: 2IOK)的计算机研究。在所有被评估的氨基酸偶联物中,有4个化合物5b、5k、5f和5d表现出显著的对接分数,并被选择用于体外抗癌研究。其中5k和5f对黑色素瘤细胞系的IC50[μg/mL]分别为22.9和22.3,5b对乳腺癌细胞的IC50[μg/mL]为61.0,表现出良好的抗癌性能。图形抽象
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引用次数: 0
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Journal of the Iranian Chemical Society
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