Acta Chimica Slovenica最新文献_第10页

Antityrosinase and Antimelanogenic Effects of Structurally Modified Kojic Acid Derivatives with Piperidine Side Chains. 带有哌啶侧链的结构修饰曲酸衍生物的抗酪氨酸酶和抗黑素生成作用。

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-11-17 DOI: 10.17344/acsi.2025.9318

Gülşah Karakaya, Tugba Adak, Sami Hamdoun, Aslı Türe, Ayşe Ercan, Mutlu Aytemir

{"title":"Antityrosinase and Antimelanogenic Effects of Structurally Modified Kojic Acid Derivatives with Piperidine Side Chains.","authors":"Gülşah Karakaya, Tugba Adak, Sami Hamdoun, Aslı Türe, Ayşe Ercan, Mutlu Aytemir","doi":"10.17344/acsi.2025.9318","DOIUrl":"https://doi.org/10.17344/acsi.2025.9318","url":null,"abstract":"In this study, eight QSAR models were constructed to develop novel compounds as tyrosinase inhibitors. The decision tables, Bagging, and Random Committee methods showed the best predictive abilities (q2 ≥ 0.5) among the models. Based on these models, twelve new kojic acid derivatives were synthesized. Tyrosinase inhibition was determined using a spectrophotometric method with L-DOPA as the substrate. Molecular docking studies were conducted to provide insights into the tyrosinase-inhibiting mechanisms of the compounds. Cytotoxic effects on the B16F10 melanoma cell line were investigated using the SRB assay. A melanogenesis assay was also performed to detect the inhibition of melanin production. Compounds 4l, 4j, and 4b exhibited better tyrosinase inhibitory effects than the positive control, kojic acid (218.8 µM), with IC50 values of 138.1, 159.0, and 208.9 µM, respectively. Compound 4j showed the best anti-melanogenesis effect among the compounds tested. These findings demonstrate the potential of the compounds developed as novel tyrosinase inhibitors for clinical and cosmetic applications.","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 4","pages":"679-691"},"PeriodicalIF":1.3,"publicationDate":"2025-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145773201","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

Synthesis and Biological Activity of Some Novel Quinolinones Derived from 1-Ethyl-1,2-dihydro-4-hydroxy-2-oxoquinoline-3-carbaldehyde. 以1-乙基-1,2-二氢-4-羟基-2-氧喹啉-3-乙醛为原料的新型喹啉类化合物的合成及其生物活性

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-11-17 DOI: 10.17344/acsi.2025.9335

Fatma Youssef, Mostafa Ismail, Mohammed Abass, Heba Hassan

引用次数: 0

Chemical Stability and Dissolution of Paracetamol Tablets Formulated by Direct Compression and Granulation Process. 直接压缩造粒法配制扑热息痛片的化学稳定性和溶出度。

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-11-10 DOI: 10.17344/acsi.2025.9374

Nemanja B Todorović, Darija B Sazdanić, Bojana G Mamužić, Mladena N Lalić-Popović, Milica T Atanacković Krstonošić, Mira P Mikulić

引用次数: 0

Immunomodulatory Role of Palladium(II) Complex with Ethyl Derivative of Thiosalicylic Acid Ligand. 硫代水杨酸乙酯衍生物钯配合物的免疫调节作用。

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-11-10 DOI: 10.17344/acsi.2025.9301

Mirjana Jakovljević, Jovana Marinković, Dusan Tomović, Gordana Radić, Irfan Ćorović, Slađana Pavlović, Bojana Simović Marković, Ivan Jovanović, Andriana Bukonjić

引用次数: 0

Synthesis, X-Ray Crystal Structures and Urease Inhibitory Activity of 3,5-Dihydroxy-N'-(pyridin-2-ylmethylene)benzohydrazide and its Copper(II) and Nickel(II) Complexes. 3,5-二羟基- n′-（吡啶-2-基亚甲基）苯并肼及其铜（II）和镍（II）配合物的合成、x射线晶体结构和脲酶抑制活性

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-11-10 DOI: 10.17344/acsi.2025.9518

Zhonglu You, Ziyi Qiao, Yaoyao Cao, Dahua Shi, Niansui Song, Xinhui Feng

{"title":"Synthesis, X-Ray Crystal Structures and Urease Inhibitory Activity of 3,5-Dihydroxy-N'-(pyridin-2-ylmethylene)benzohydrazide and its Copper(II) and Nickel(II) Complexes.","authors":"Zhonglu You, Ziyi Qiao, Yaoyao Cao, Dahua Shi, Niansui Song, Xinhui Feng","doi":"10.17344/acsi.2025.9518","DOIUrl":"https://doi.org/10.17344/acsi.2025.9518","url":null,"abstract":"Hydrazone compounds have interesting biological activities. In this work, a new hydrazone compound 3,5-dihydroxy-N'-(pyridin-2-ylmethylene)benzohydrazide (HL) was synthesized and characterized by IR, UV-Vis, 1H and 13C NMR spectroscopy. The compound reacts with copper chloride and nickel acetate, respectively, to afford metal complexes [CuCl2(HL)]∙CH3OH (1∙CH3OH) and [NiL2]∙2CH3OH∙2H2O (2∙2CH3OH∙2H2O). The complexes were characterized by elemental analysis, and IR and UV-Vis spectroscopy. Structures of HL and the complexes were further confirmed by single crystal X-ray determination. The hydrazone ligand in complex 1 adopts neutral form and coordinates to Cu ion through pyridine nitrogen, imino nitrogen and carbonyl oxygen atoms. The hydrazone ligands in complex 2 adopt monoanionic form and coordinate to Ni ion through pyridine nitrogen, imino nitrogen and enolate oxygen atoms. The Cu atom in complex 1 is in square pyramidal coordination, and the Ni atom in complex 2 is in octahedral coordination. The compounds were tested for their urease inhibitory activities. Complex 1 has remarkable activity on Jack bean urease (IC50 = 0.5 ± 0.1 μmol L-1).","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 4","pages":"740-747"},"PeriodicalIF":1.3,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145773281","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

Synthesis of Novel Indole Derivatives, Antiproliferative Activity, Apoptosis, and Molecular Docking Studies. 新型吲哚衍生物的合成、抗增殖活性、细胞凋亡及分子对接研究。

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-11-10 DOI: 10.17344/acsi.2025.9406

Mahsa Toolabi, Zahra Sabzevari, Zakaria Forouzanfar, Ayyub Mojaddami

引用次数: 0

Camellia Yokdonensis Leaves: Antioxidant, Potential Antidiabetic and In Vitro Anti-inflammatory Activities. 茶树叶：抗氧化、潜在的抗糖尿病和体外抗炎活性。

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-11-10 DOI: 10.17344/acsi.2025.9305

Trang Thi Nguyen, Pham M Tuan, Danh C Vu

{"title":"Camellia Yokdonensis Leaves: Antioxidant, Potential Antidiabetic and In Vitro Anti-inflammatory Activities.","authors":"Trang Thi Nguyen, Pham M Tuan, Danh C Vu","doi":"10.17344/acsi.2025.9305","DOIUrl":"https://doi.org/10.17344/acsi.2025.9305","url":null,"abstract":"This study investigated the phenolic content, antioxidant activity, α-amylase and α-glucosidase inhibitory effects, and albumin denaturation inhibitory activity of extracts from the leaves of Camellia yokdonensis, a plant species native to Vietnam. The results revealed epigallocatechin gallate as the dominant phenolic compound (33.76-191.95 mg/g). The methanolic extract showed the most potent antioxidant activity (ABTS IC50 = 135.01 ± 1.51 μg/mL, DPPH IC50 = 25.96 ± 0.11 μg/mL). The aqueous ethanolic extract exhibited the strongest inhibitory activity against albumin denaturation (IC50 = 320.20 ± 2.45 μg/mL). The aqueous methanolic extract possessed the highest α-glucosidase inhibition (IC50 = 382.80 ± 14.82 μg/mL), while the ethanolic extract displayed the strongest α-amylase inhibition (IC50 = 1105.96 ± 26.97 μg/mL). Pearson correlation analysis indicated positive correlations between total phenolic content and antioxidant activity, and albumin denaturation inhibition. These findings underscore C. yokdonensis leaves as a promising source of natural antioxidants and enzyme inhibitors for managing diabetes and inflammation.","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 4","pages":"672-678"},"PeriodicalIF":1.3,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145773247","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

Novel Mannich Bases Based on Schiff Bases: Synthesis, Biological Activities, Computational Approach, and Anticancer Analysis with Molecular Docking. 基于希夫碱基的新型曼尼希碱基：合成、生物活性、计算方法和分子对接抗癌分析。

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-11-10 DOI: 10.17344/acsi.2025.9285

Gül Kotan, Kenan Gören, Sevda Manap, Mehmet Bağlan, Haydar Yüksek

{"title":"Novel Mannich Bases Based on Schiff Bases: Synthesis, Biological Activities, Computational Approach, and Anticancer Analysis with Molecular Docking.","authors":"Gül Kotan, Kenan Gören, Sevda Manap, Mehmet Bağlan, Haydar Yüksek","doi":"10.17344/acsi.2025.9285","DOIUrl":"https://doi.org/10.17344/acsi.2025.9285","url":null,"abstract":"In this study, the Mannich base derivatives 1-(2,6-dimethylmorpholin-4-yl-methyl)-3-alkyl(aryl)-4-(3-methoxy-4-acetoxybenzylideneamino)-4,5-dihydro-1H-1,2,4-triazole-5-one 6(a-g) have been synthesized. The spectral analysis of the new compounds were identified utilizing 1H NMR, 13C NMR and IR spectrometry. Three techniques (Blois, Oyaizu, Dinis) were used to assess the potential antioxidant activities of the compound. Using the agar well diffusion method, the compounds' in vitro antibacterial properties were studied against six bacteria. Additionally, the molecular docking study was performed to research the potential anticancer activities of the compound against ovarian and gastric cancer. In molecular docking analysis, compound 6e gave good results in potential cancer interactions with protein 3W2S and compound 6f with protein 3OCB. Also, ADME estimations was performed to assess the drug-likeness of Mannich bases. The energies of molecular orbitals (HOMO-LUMO) and energy differ (ΔEg) was calculated for compounds. Finally, the structure-activity relationships (SAR) was analyzed by Density Functional Theory (DFT).","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 4","pages":"637-653"},"PeriodicalIF":1.3,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145773248","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

Microwave-Assisted Extraction of Capsaicin and Dihydrocapsaicin from Green Chili with Process Optimization as per Response Surface Methodology. 响应面法微波辅助提取青椒中辣椒素和二氢辣椒素工艺优化

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-11-07 DOI: 10.17344/acsi.2024.8960

Nimra Maqsood, Dildar Ahmed

{"title":"Microwave-Assisted Extraction of Capsaicin and Dihydrocapsaicin from Green Chili with Process Optimization as per Response Surface Methodology.","authors":"Nimra Maqsood, Dildar Ahmed","doi":"10.17344/acsi.2024.8960","DOIUrl":"https://doi.org/10.17344/acsi.2024.8960","url":null,"abstract":"Capsaicin and dihydrocapsaicin are highly valuable natural compounds. In this study, microwave-assisted extraction (MAE) was optimized for the extraction of these compounds from Capsicum annuum L. using two solvents: ethyl acetate and acetone. The optimization was conducted using response surface methodology (RSM), and high-performance liquid chromatography (HPLC) was used for quantification of the compounds. The independent variables considered were microwave power (W), irradiation time (s), and solvent-to-solid ratio (SSR). For MAE-acetone, the optimal yields were 19.3 mg/g dry matter (DM) for capsaicin and 10.2 mg/g DM for dihydrocapsaicin. MAE-ethyl acetate yielded higher amounts, with 22.1 mg/g DM for capsaicin and 10.6 mg/g DM for dihydrocapsaicin. The optimal conditions for capsaicin in both solvents were 60 s, 220 W, and 30 mL/g SSR, while for dihydrocapsaicin, the conditions were 40 s, 220 W, and 40 mL/g SSR. Thus, MAE-ethyl acetate proved to be more effective than MAE-acetone for the extraction of both compounds. It is, therefore, preferable due to its efficiency and environmental safety and, thus, is a promising technique for industrial applications.","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 4","pages":"623-636"},"PeriodicalIF":1.3,"publicationDate":"2025-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145773206","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

Quercetin-3 Sulfate: A Novel Inhibitor Targeting Helicobacter Pylori Revealed through Molecular Docking and Dynamic Simulations. 硫酸槲皮素-3：一种靶向幽门螺杆菌的新型抑制剂

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-11-07 DOI: 10.17344/acsi.2025.9336

Mohammed Baqur Al-Shuhaib, Hayder O Hashim, Mudher K Mohammed, Jafar M B Al-Shuhaib

{"title":"Quercetin-3 Sulfate: A Novel Inhibitor Targeting Helicobacter Pylori Revealed through Molecular Docking and Dynamic Simulations.","authors":"Mohammed Baqur Al-Shuhaib, Hayder O Hashim, Mudher K Mohammed, Jafar M B Al-Shuhaib","doi":"10.17344/acsi.2025.9336","DOIUrl":"https://doi.org/10.17344/acsi.2025.9336","url":null,"abstract":"Type II dehydroquinase (DHQase) is a pivotal enzyme in the synthesis of aromatic amino acids essential for Helicobacter pylori's survival. It possesses distinctive characteristics and exhibits limited sequence or structural similarity to other bacterial organisms. Molecular docking was employed to screen Middle Eastern medicinal plants to identify the most promising candidates for inhibiting DHQase with the highest affinity. Docking against DHQase was performed on 2,213 ligand conformers derived from 151 natural Middle Eastern medicinal plants. Ten hits with the most favorable docking scores were selected for subsequent ADMET assay analysis and molecular dynamic simulation. Of all of the top hits, quercetin-3 sulfate had the highest docking score. This compound adhered to the druglikeness roles and demonstrated no toxicity. MD simulations indicated that the quercetin-3 sulfate-DHQase complex exhibited higher levels of stabilized RMSD and higher values of stably contributed amino acid residues than other structures. This study underscores the novel inhibitory potential of quercetin 3-sulfate against DHQase, demonstrating the highest ligand affinity. This observation suggests the validity of quercetin 3-sulfate as a potent drug for combating H. pylori infection.","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 4","pages":"707-720"},"PeriodicalIF":1.3,"publicationDate":"2025-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145773228","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