International Journal of Medicinal Chemistry最新文献_第5页

Abrus precatorius Leaves: Antioxidant Activity in Food and Biological Systems, pH, and Temperature Stability. 鸡艾草叶片:食物和生物系统中的抗氧化活性、pH值和温度稳定性。

International Journal of Medicinal Chemistry Pub Date : 2014-01-01 Epub Date: 2014-01-30 DOI: 10.1155/2014/748549

Vanitha Reddy Palvai, Sowmya Mahalingu, Asna Urooj

{"title":"Abrus precatorius Leaves: Antioxidant Activity in Food and Biological Systems, pH, and Temperature Stability.","authors":"Vanitha Reddy Palvai, Sowmya Mahalingu, Asna Urooj","doi":"10.1155/2014/748549","DOIUrl":"https://doi.org/10.1155/2014/748549","url":null,"abstract":"Natural antioxidants present in foods and other biological materials have attracted considerable interest because of their presumed safety and potential nutritional and therapeutic effects. Antioxidant constituents of plant materials act as radical scavengers and convert the radicals to less reactive species. Abrus precatorius (AP) was analyzed for its proximate and phytochemical composition. The leaves were extracted with methanol (ME) and analyzed for antioxidant activity by radical scavenging method, reducing power, ferric reducing capacity, and in vitro inhibition of Fenton's reagent-induced oxidation in oil emulsion and microsomes. In addition, the effect of temperature (100°C, 15, and 30 min) and pH (4.5, 7, and 9) C on the antioxidant activity of ME was investigated. The leaves were rich in total polyphenols, flavonoids, β-carotene, glutathione, α-tocopherol, and ascorbic acid. The ME exhibited varying degree of antioxidant activity in a dose-dependent manner. The AP exhibited more inhibition of oxidation in microsomes (73%) than compared to oil emulsion (21%). Heat treatment resulted in an increase of radical scavenging activity of extract (28% to 43%). At pH 4.5 the extract exhibited more antioxidant activity and stability compared to pH 7 and 9. Data indicates that potential exists for the utilization of Abrus precatorius as a natural antioxidant. ","PeriodicalId":14082,"journal":{"name":"International Journal of Medicinal Chemistry","volume":"2014 ","pages":"748549"},"PeriodicalIF":0.0,"publicationDate":"2014-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1155/2014/748549","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32803661","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 20

Development of Small Molecular Proteasome Inhibitors Using a Caenorhabditis elegans Screen. 利用秀丽隐杆线虫筛选小分子蛋白酶体抑制剂的开发。

International Journal of Medicinal Chemistry Pub Date : 2014-01-01 Epub Date: 2014-11-11 DOI: 10.1155/2014/237286

Sudhir Nayak, Michela Fiaschi, Dana King, Erica R Tabakin, Lyndsay Wood, David A Hunt

引用次数: 2

Target Based Designing of Anthracenone Derivatives as Tubulin Polymerization Inhibiting Agents: 3D QSAR and Docking Approach. 基于靶标设计蒽酮类微管蛋白聚合抑制剂:三维QSAR与对接方法。

International Journal of Medicinal Chemistry Pub Date : 2014-01-01 Epub Date: 2014-04-17 DOI: 10.1155/2014/658016

Abdul Samad, Moawiah M Naffaa, Mohammed Afroz Bakht, Manav Malhotra, Majid A Ganaie

{"title":"Target Based Designing of Anthracenone Derivatives as Tubulin Polymerization Inhibiting Agents: 3D QSAR and Docking Approach.","authors":"Abdul Samad, Moawiah M Naffaa, Mohammed Afroz Bakht, Manav Malhotra, Majid A Ganaie","doi":"10.1155/2014/658016","DOIUrl":"https://doi.org/10.1155/2014/658016","url":null,"abstract":"Novel anthracenone derivatives were designed through in silico studies including 3D QSAR, pharmacophore mapping, and molecular docking approaches. Tubulin protein was explored for the residues imperative for activity by analyzing the binding pattern of colchicine and selected compounds of anthracenone derivatives in the active domain. The docking methodology applied in the study was first validated by comparative evaluation of the predicted and experimental inhibitory activity. Furthermore, the essential features responsible for the activity were established by carrying out pharmacophore mapping studies. 3D QSAR studies were carried out for a series of 1,5- and 1,8-disubstituted10-benzylidene-10H-anthracen-9-ones and 10-(2-oxo-2-phenylethylidene)-10H-anthracen-9-one derivatives for their antiproliferation activity. Based on the pattern recognition studies obtained from QSAR results, ten novel compounds were designed and docked in the active domain of tubulin protein. One of the novel designed compounds \"N1\" exhibited binding energy -9.69 kcal/mol and predicted Ki 78.32 nM which was found to be better than colchicine. ","PeriodicalId":14082,"journal":{"name":"International Journal of Medicinal Chemistry","volume":"2014 ","pages":"658016"},"PeriodicalIF":0.0,"publicationDate":"2014-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1155/2014/658016","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32803657","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 7

Nitro Derivatives of Naturally Occurring β -Asarone and Their Anticancer Activity. 天然β -细辛酮的硝基衍生物及其抗癌活性

International Journal of Medicinal Chemistry Pub Date : 2014-01-01 Epub Date: 2014-10-01 DOI: 10.1155/2014/835485

Suvarna Shenvi, Latha Diwakar, G Chandrasekara Reddy

引用次数: 8

A Predictive HQSAR Model for a Series of Tricycle Core Containing MMP-12 Inhibitors with Dibenzofuran Ring. 含二苯并呋喃环的MMP-12抑制剂三轮车芯的HQSAR预测模型

International Journal of Medicinal Chemistry Pub Date : 2014-01-01 Epub Date: 2014-12-07 DOI: 10.1155/2014/630807

Jamal Shamsara, Ahmad Shahir-Sadr

{"title":"A Predictive HQSAR Model for a Series of Tricycle Core Containing MMP-12 Inhibitors with Dibenzofuran Ring.","authors":"Jamal Shamsara, Ahmad Shahir-Sadr","doi":"10.1155/2014/630807","DOIUrl":"https://doi.org/10.1155/2014/630807","url":null,"abstract":"MMP-12 is a member of matrix metalloproteinases (MMPs) family involved in pathogenesis of some inflammatory based diseases. Design of selective matrix MMPs inhibitors is still challenging because of binding pocket similarities among MMPs family. We tried to generate a HQSAR (hologram quantitative structure activity relationship) model for a series of MMP-12 inhibitors. Compounds in the series of inhibitors with reported biological activity against MMP-12 were used to construct a predictive HQSAR model for their inhibitory activity against MMP-12. The HQSAR model had statistically excellent properties and possessed good predictive ability for test set compounds. The HQSAR model was obtained for the 26 training set compounds showing cross-validated q (2) value of 0.697 and conventional r (2) value of 0.986. The model was then externally validated using a test set of 9 compounds and the predicted values were in good agreement with the experimental results (r pred (2) = 0.8733). Then, the external validity of the model was confirmed by Golbraikh-Tropsha and r m (2) metrics. The color code analysis based on the obtained HQSAR model provided useful insights into the structural features of the training set for their bioactivity against MMP-12 and was useful for the design of some new not yet synthesized MMP-12 inhibitors. ","PeriodicalId":14082,"journal":{"name":"International Journal of Medicinal Chemistry","volume":"2014 ","pages":"630807"},"PeriodicalIF":0.0,"publicationDate":"2014-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1155/2014/630807","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32963685","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 6

Synthesis and structural activity relationship study of antitubercular carboxamides. 抗结核羧胺类药物的合成及构效关系研究。

International Journal of Medicinal Chemistry Pub Date : 2014-01-01 Epub Date: 2014-12-30 DOI: 10.1155/2014/614808

D I Ugwu, B E Ezema, F U Eze, D I Ugwuja

引用次数: 23

Synthesis, Physicochemical Properties, and Antimicrobial Studies of Iron (III) Complexes of Ciprofloxacin, Cloxacillin, and Amoxicillin. 环丙沙星、氯西林和阿莫西林铁(III)配合物的合成、理化性质和抗菌研究。

International Journal of Medicinal Chemistry Pub Date : 2014-01-01 Epub Date: 2014-11-19 DOI: 10.1155/2014/735602

Fabian I Eze, Uzoechi Ajali, Pius O Ukoha

引用次数: 11

Synthesis Antimicrobial and Anticancer Evaluation of 1-Aryl-5-(o-methoxyphenyl)-2-S-benzyl Isothiobiurets. 1-芳基-5-(邻甲氧基苯基)-2- s -苄基异硫脲的合成、抗菌及抗癌评价

International Journal of Medicinal Chemistry Pub Date : 2014-01-01 Epub Date: 2014-11-20 DOI: 10.1155/2014/352626

Mohammed M Ansari, Shirish P Deshmukh, Rizwan Khan, Mohammed Musaddiq

引用次数: 11

Synthesis and biological evaluation of aminonaphthols incorporated indole derivatives. 吲哚衍生物氨基萘酚的合成及生物学评价。

International Journal of Medicinal Chemistry Pub Date : 2014-01-01 Epub Date: 2014-09-10 DOI: 10.1155/2014/673206

Saundane Anand Raghunath, Kirankumar Nandibeoor Mathada

{"title":"Synthesis and biological evaluation of aminonaphthols incorporated indole derivatives.","authors":"Saundane Anand Raghunath, Kirankumar Nandibeoor Mathada","doi":"10.1155/2014/673206","DOIUrl":"https://doi.org/10.1155/2014/673206","url":null,"abstract":"An efficient one pot condensation of naphthols (1), 2,5-disubstituted indole-3-carboxaldehydes (2), and secondary amines (3) has been achieved using dichloromethane as a solvent, stirring at room temperature. Some of the new [(disubstituted amino)(5-substituted 2-phenyl-1H-indol-3-yl)methyl]naphthalene-ols (4) derivatives were prepared in good yields. The significant features of this method are simple work-up procedure, inexpensive nontoxic solvent, shorter reaction times, and excellent product yields. The structures of newly synthesized compounds (4a-r) are confirmed by their elemental analysis, FTIR, (1)H and (13)C NMR, and mass spectral data. These compounds were screened for their in vitro antioxidant, antimicrobial, antitubercular, and anticancer activities. Among the synthesized compounds (4a-r), the compound 4e exhibited highest activity for radical scavenging and ferric ions reducing antioxidant power activities; compounds 4b, 4h, and 4k showed good metal chelating activity. Compounds 4n and 4q showed excellent antimicrobial activities with MIC value 08 µg/mL against tested strains. Compounds 4h, 4k, 4n, and 4q exhibited promising antitubercular activity with MIC value 12.5 µg/mL. Compounds 4k and 4q exhibited 100% cell lysis at concentration 10 µg/mL against MDA-MB-231 (human adenocarcinoma mammary gland) cell lines. ","PeriodicalId":14082,"journal":{"name":"International Journal of Medicinal Chemistry","volume":"2014 ","pages":"673206"},"PeriodicalIF":0.0,"publicationDate":"2014-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1155/2014/673206","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32803658","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 6

Clicked cinnamic/caffeic esters and amides as radical scavengers and 5-lipoxygenase inhibitors. 肉桂/咖啡酯和酰胺作为自由基清除剂和5-脂氧合酶抑制剂。

International Journal of Medicinal Chemistry Pub Date : 2014-01-01 Epub Date: 2014-02-18 DOI: 10.1155/2014/931756

Jérémie A Doiron, Benoît Métayer, Ryan R Richard, Dany Desjardins, Luc H Boudreau, Natalie A Levesque, Jacques Jean-François, Samuel J Poirier, Marc E Surette, Mohamed Touaibia

{"title":"Clicked cinnamic/caffeic esters and amides as radical scavengers and 5-lipoxygenase inhibitors.","authors":"Jérémie A Doiron, Benoît Métayer, Ryan R Richard, Dany Desjardins, Luc H Boudreau, Natalie A Levesque, Jacques Jean-François, Samuel J Poirier, Marc E Surette, Mohamed Touaibia","doi":"10.1155/2014/931756","DOIUrl":"https://doi.org/10.1155/2014/931756","url":null,"abstract":"5-Lipoxygenase (5-LO) is the key enzyme responsible for the conversion of arachidonic acid to leukotrienes, a class of lipid mediators implicated in inflammatory disorders. In this paper, we describe the design, synthesis, and preliminary activity studies of novel clicked caffeic esters and amides as radical scavengers and 5-LO inhibitors. From known 5-LO inhibitor 3 as a lead, cinnamic esters 8a-h and amides 9a-h as well as caffeic esters 15a-h and amides 16a-h were synthesized by Cu(I)-catalyzed [1,3]-dipolar cycloaddition with the appropriate azide precursors and terminal alkynes. All caffeic analogs are proved to be good radical scavengers (IC50: 10-20 μM). Esters 15g and 15f possessed excellent 5-LO inhibition activity in HEK293 cells and were equipotent with the known 5-LO inhibitor CAPE and more potent than Zileuton. Several synthesized esters possess activities rivaling Zileuton in stimulated human polymorphonuclear leukocytes. ","PeriodicalId":14082,"journal":{"name":"International Journal of Medicinal Chemistry","volume":"2014 ","pages":"931756"},"PeriodicalIF":0.0,"publicationDate":"2014-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1155/2014/931756","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32803664","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 7