Journal of The Serbian Chemical Society最新文献_第7页

Synthesis of and theoretical research on some azine derivatives and investigation of their antimicrobial activities 一些嗪类衍生物的合成、理论研究及抗菌活性的研究

4区化学

Journal of The Serbian Chemical Society Pub Date : 2023-01-01 DOI: 10.2298/jsc230817081a

Sertan Aytaç

{"title":"Synthesis of and theoretical research on some azine derivatives and investigation of their antimicrobial activities","authors":"Sertan Aytaç","doi":"10.2298/jsc230817081a","DOIUrl":"https://doi.org/10.2298/jsc230817081a","url":null,"abstract":"This study includes experimental, theoretical, and antimicrobial investigations on 1-(diphenylmethylene)-2-(4-methoxybenzylidene)hydrazine (5), 1-(3,5-dimethoxybenzylidene)-2-(diphenylmethylene)hydrazine (6) and 1- (diphenylmethylene)-2-(2,3,4-trimethoxybenzylidene)hydrazine (7). The structures of the compounds synthesized by microwave method were determined by spectroscopic methods and elemental analysis. Conformational analysis, ground state structure, fourier transform infrared spectra (FT-IR), and nuclear magnetic resonance (NMR) spectra of the compounds were computed using density functional theory (DFT) calculations in the theoretical research. Based on the B3LYP/6-31G(d,p) level, the conformers from the torsional barrier scanning were optimized. The B3LYP/6-311++G .(d,p) was used to determine the harmonic vibrational frequencies, potential energy distribution (PED), infrared intensities, and NMR chemical shifts of the most stable conformers. The experimental findings were compared with theoretically expected spectral data. The antibacterial activity of the prepared compounds was tested in vitro against nine bacteria and one yeast species. The antimicrobial activity of the compounds was tested by minimum inhibitory concentration (MIC) and agar well diffusion method. Compound 7 showed good activity against the bacteria and yeast, while 5 and 6 showed no antimicrobial activity. Compound 7 showed zone of inhibition values in the range of 10-15 mm against Klebsiella pneumonia, Pseudomonas aeruginosa and Salmonella typhimurium The results indicated that compound 7 was effective against bacteria.","PeriodicalId":17489,"journal":{"name":"Journal of The Serbian Chemical Society","volume":"38 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135211107","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

A recent tactic for searching CDK-7 kinase inhibitor by NCI database screening 通过NCI数据库筛选寻找CDK-7激酶抑制剂的最新策略

4区化学

Journal of The Serbian Chemical Society Pub Date : 2023-01-01 DOI: 10.2298/jsc230624083r

Mohammad Rashid, Md. Athar, Afzal Hussain, Norah Almadani, Ashfaq Hussain

{"title":"A recent tactic for searching CDK-7 kinase inhibitor by NCI database screening","authors":"Mohammad Rashid, Md. Athar, Afzal Hussain, Norah Almadani, Ashfaq Hussain","doi":"10.2298/jsc230624083r","DOIUrl":"https://doi.org/10.2298/jsc230624083r","url":null,"abstract":"The present study was based on an exploration of NCI database for searching specific CDK-7 kinase inhibitor by HTVS, SP, XP, molecular docking, molecular dynamic simulation, and ADMET evaluation. The best CDK-7 kinase inhibitors (NCI613391, NCI169676, NCI281246, NCI339580) were identified via NCI database screening. The stability of binding interaction between receptor protein and protein-ligand complex of potent finding compounds (NCI613391) further confirmed by dynamics simulations and MM-GBSA. The RMSD value of receptor and receptor-ligand complexes was analyzed, and it revealed the stability of binding interactions and remained stable throughout the simulation. The RMSF values and gyration radius of the unbound receptor and backbone atoms of the complex were found to be equal, which indicates that the drug molecule inside the CDK7 receptor is also stable. The study of MM-GBSA data also revealed stronger binding interactions of ligands to CDK7 receptors. With the exception of NCI169676, all compounds were shown to be substrates for CYP450 2D6, CYP450 3A4, inhibitors of CYP450 2C9, and non-inhibitors of p-glycoprotein. All compounds were qualified and found suitable to be as drug-likeness according to the Lipinski rule, Ghose filter, MDDR like rule, and CMC-like rule. The compound (NCI613391) was exhibited human intestinal absorption (76.08%), and display negative AMES and T.E.S.T (US-EPA) toxicity with OSIRIS property and found to be a promising CDK-7 kinase inhibitor and its efficacy may be further explored in clinical trials.","PeriodicalId":17489,"journal":{"name":"Journal of The Serbian Chemical Society","volume":"26 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135263181","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 synthesis of a series of 4,5-dihydro-1H-pyrazoles endowed with selective COX-1 inhibitory potency 具有选择性COX-1抑制效能的4,5-二氢- 1h吡唑的微波辅助合成

IF 1 4区化学

Journal of The Serbian Chemical Society Pub Date : 2023-01-01 DOI: 10.2298/jsc220907001a

M. Altıntop, H. Temel, A. Özdemir

{"title":"Microwave-assisted synthesis of a series of 4,5-dihydro-1H-pyrazoles endowed with selective COX-1 inhibitory potency","authors":"M. Altıntop, H. Temel, A. Özdemir","doi":"10.2298/jsc220907001a","DOIUrl":"https://doi.org/10.2298/jsc220907001a","url":null,"abstract":"More efforts have been directed towards the discovery of selective COX-1 inhibitors due to recent works highlighting the involvement of COX-1 in the pathogenesis of pain, neuroinflammation, cancer and cardiovascular disorders. In this context, this paper aims to describe 2-pyrazolines endowed with selective COX-1 inhibitory potency. An efficient microwave-assisted protocol was applied for the preparation of a series of pyrazolines, which were tested for their COX-1 and COX-2 inhibitory effects using a colorimetric assay. The cytotoxic properties of the most potent derivatives on NIH/3T3 fibroblast cells were determined using MTT method. 1-(3-Fluorophenyl)-5-(3,4-methylen-dioxyphenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole (2g) and 1-(3-bromophe-nyl)-5-(3,4-methylendioxyphenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole (2h) were determined as selective COX-1 inhibitors. According to the in silico data obtained from Schr?dinger's QikProp module, both compounds are estimated to possess favorable oral bioavailability and drug-likeness. This work could be a rational guideline for further modifications at different sites on 2-pyrazoline motif to bring out a new class of selective COX-1 inhibitors.","PeriodicalId":17489,"journal":{"name":"Journal of The Serbian Chemical Society","volume":"1 1","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68514985","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

Natural flavonoids in delonix regia leaf as an antimycobacterial agent: An in silico study 龙葵叶中天然黄酮类化合物的抑菌作用:硅片研究

IF 1 4区化学

Journal of The Serbian Chemical Society Pub Date : 2023-01-01 DOI: 10.2298/jsc220913045t

Putra Tjitda, F. Nitbani, Dominus Mbunga, T. Wahyuningsih

引用次数: 0

Synthesis of novel menthol derivatives containing 1,2,3-triazole group and their in vitro antibacterial activities 含1,2,3-三唑基团的新型薄荷醇衍生物的合成及其体外抗菌活性研究

IF 1 4区化学

Journal of The Serbian Chemical Society Pub Date : 2023-01-01 DOI: 10.2298/jsc220813006k

Mohadeseh Karbasi, P. Salehi, A. Aliahmadi, M. Bararjanian, F. Zandi

引用次数: 0

Electrical conductivity of GdCl3-LiCl and GdCl3-LiCl-Gd2O3 molten systems GdCl3-LiCl和GdCl3-LiCl- gd2o3熔融体系的电导率

IF 1 4区化学

Journal of The Serbian Chemical Society Pub Date : 2023-01-01 DOI: 10.2298/jsc230131051n

E. Nikolaeva, I. Zakiryanova, A. Bovet, I. Korzun

引用次数: 0

Comparative study of chemical composition and the antimutagenic activity of propolis extracts obtained by means of various solvents 不同溶剂法制备蜂胶提取物的化学成分及抗诱变活性比较研究

IF 1 4区化学

Journal of The Serbian Chemical Society Pub Date : 2023-01-01 DOI: 10.2298/jsc230217027r

P. Rasgele, Nisa Sipahi, G. Yilmaz

{"title":"Comparative study of chemical composition and the antimutagenic activity of propolis extracts obtained by means of various solvents","authors":"P. Rasgele, Nisa Sipahi, G. Yilmaz","doi":"10.2298/jsc230217027r","DOIUrl":"https://doi.org/10.2298/jsc230217027r","url":null,"abstract":"The present study aimed to evaluate the chemical characterization and antimutagenic potential of propolis extracted in three different solvents (etanol, polyethylene glycol and water). The chemical characterizations of different extracts of propolis were identified using HPLC-DAD and LC-MS/MS and polyethylene glycol extract of propolis were found to be richer than the etanolic and water extracts of propolis in terms of chemical composition. In addition, the antimutagenic activities of propolis extracts were determined using Ames assay. Three concentrations (3, 1.5 and 0.75 mg plate-1) of ethanolic and polyethylene glycol extracts of propolis; (0.3, 0.15 and 0.075 mg plate-1) of water extract of propolis were used as active materials. Propolis extracted in three different solvents indicated strong antimutagenic activity against both 4-nitro-o-phenylendiamine and sodium azide mutagens in the S.typhimurium TA98 and 100 strains at all concentrations. Ethanolic extract of propolis had the highest inhibition rates for both bacterial strains and these rates were 98.94% and 97.37% for TA98 and TA100, respectively. The inhibition rates of polyethylene glycol extract of propolis ranged from 68.27% to 98.94%. Moreover, it was determined that water extract of propolis had the lowest inhibition rates, which were 56.86% and 55.35% for TA98 and TA100, respectively. The toxicological safety of natural products such as propolis has gained great importance due to extensive usage.","PeriodicalId":17489,"journal":{"name":"Journal of The Serbian Chemical Society","volume":"1 1","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68517007","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

Computer-aided approach for the identification of lead molecules as the inhibitors of cholinesterase’s and monoamine oxidases: Novel target for the treatment of Alzheimer’s disease 计算机辅助方法鉴定胆碱酯酶和单胺氧化酶抑制剂铅分子:治疗阿尔茨海默病的新靶点

IF 1 4区化学

Journal of The Serbian Chemical Society Pub Date : 2023-01-01 DOI: 10.2298/jsc230307050e

S. Ejaz, Mubashira Aziz, Ammara Fayyaz, Tanveer A. Wani, Seema Zargar

{"title":"Computer-aided approach for the identification of lead molecules as the inhibitors of cholinesterase’s and monoamine oxidases: Novel target for the treatment of Alzheimer’s disease","authors":"S. Ejaz, Mubashira Aziz, Ammara Fayyaz, Tanveer A. Wani, Seema Zargar","doi":"10.2298/jsc230307050e","DOIUrl":"https://doi.org/10.2298/jsc230307050e","url":null,"abstract":"Molecular docking is a promising and reliable technology for the purpose of discovering lead compounds via virtual screening. In addition to allowing for the testing of a large number of compounds, it also allows for the determination of how the selected compounds inhibit the targeted protein/receptor based on the scoring function and ranking. Because selective cholinesterase and monoamine oxidase inhibitors play a critical role in the treatment of Alzheimer's disease, this research focuses on elucidating the mechanism of binding interactions of a few quinolone derivatives within the active sites of cholinesterase (acetyl-cholinesterase (AChE) and butyrylcholinesterase (BChE) and monoamine oxidase (MAO) (monoamine oxidase A &B). As a result of these discoveries, it is possible that the newly identified inhibitors will be used as lead compounds in the development of novel enzyme inhibitors for the treatment of specific diseases, hence enabling the development of novel therapeutic approaches","PeriodicalId":17489,"journal":{"name":"Journal of The Serbian Chemical Society","volume":"32 1","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"68517071","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

Thermal investigation of material derived from the species apatura iris 鸢尾花材料的热特性研究

IF 1 4区化学

Journal of The Serbian Chemical Society Pub Date : 2023-01-01 DOI: 10.2298/jsc230327042p

Marina Simovic-Pavlovic, Maja C. Pagnacco, D. Mara, A. Radulovic, B. Bokic, D. Vasiljević, B. Kolarić

引用次数: 0

PCR-based detection of alkane monooxygenase genes in the hydrocarbon and crude oil-degrading Acinetobacter strains from petroleum-contaminated soils 石油污染土壤中烃类和原油降解不动杆菌中烷烃单加氧酶基因的pcr检测

IF 1 4区化学

Journal of The Serbian Chemical Society Pub Date : 2023-01-01 DOI: 10.2298/jsc230707053e

A. Eren, F. Bekler, K. Güven

引用次数: 0