Oscar Collado García, H. De Winter, P. Cos, M. Matos, E. Uriarte, Gabriel Llauradó Maury, J. De Waele, G. C. Santiago, E. Molina
{"title":"Molecular Docking Study of Flavonoids to Block the Aryl Hydrocarbon Receptor","authors":"Oscar Collado García, H. De Winter, P. Cos, M. Matos, E. Uriarte, Gabriel Llauradó Maury, J. De Waele, G. C. Santiago, E. Molina","doi":"10.3390/ecsoc-25-11766","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11766","url":null,"abstract":"","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89245703","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}
: The present work is devoted to the synthesis of imidazo[2,1- b ][1,3]thiazine derivatives as possible anti-inflammatory agents. The synthetic approach to (2-pyridinyloxy)substituted imid-azo[2,1- b ][1,3]thiazines based on the interaction of the polysubstituted 2-chloropyridines with 3-hydroxy-imidazo[2,1- b ][1,3]thiazines was proposed. Selective nucleophilic substitution in position 2 of pyridine ring was observed in the mentioned reaction. The synthesized (2-pyridinyloxy)substi-tuted imidazo[2,1- b ][1,3]thiazines drug-like properties were studied in silico using SwissADME and anti-inflammatory activity in carrageenan test in vivo. Hit-compounds with satisfactory drug-like and pharmacological features were identified as promising objects for futhercoming structure opti-mization and in-depth studies.
{"title":"Synthetic Approach to Diversified Imidazo[2,1-b][1,3]thiazines and Its Evaluation as Non-Steroidal Anti-Inflammatory Agents †","authors":"N. Slyvka, S. Holota, L. Saliyeva, M. Vovk","doi":"10.3390/ecsoc-25-11692","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11692","url":null,"abstract":": The present work is devoted to the synthesis of imidazo[2,1- b ][1,3]thiazine derivatives as possible anti-inflammatory agents. The synthetic approach to (2-pyridinyloxy)substituted imid-azo[2,1- b ][1,3]thiazines based on the interaction of the polysubstituted 2-chloropyridines with 3-hydroxy-imidazo[2,1- b ][1,3]thiazines was proposed. Selective nucleophilic substitution in position 2 of pyridine ring was observed in the mentioned reaction. The synthesized (2-pyridinyloxy)substi-tuted imidazo[2,1- b ][1,3]thiazines drug-like properties were studied in silico using SwissADME and anti-inflammatory activity in carrageenan test in vivo. Hit-compounds with satisfactory drug-like and pharmacological features were identified as promising objects for futhercoming structure opti-mization and in-depth studies.","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77945243","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}
Julio Corredoira-Vázquez, Cristina González-Barreira, A. G. Deibe, J. Sanmartín-Matalobos, M. Fondo
{"title":"Dysprosium(III)-Mediated Carboxylate Formation from a Schiff Base","authors":"Julio Corredoira-Vázquez, Cristina González-Barreira, A. G. Deibe, J. Sanmartín-Matalobos, M. Fondo","doi":"10.3390/ecsoc-25-11740","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11740","url":null,"abstract":"","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91081063","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}
Z. Váradi, G. Paragi, Z. Kupihar, Z. Kele, L. Kovács
: Nucleic acid analogues play a multifaceted role in biology and materials science. Our efforts towards unveiling these roles led to xanthine derivatives that form higher–order structures with quadruplex-forming abilities. In this paper we present further modifications of the xanthine core resulting into 9-deaza and 8-aza-9-deaza heterocycles (pyrrolo[3,2-d]pyrimidines and pyrazolo[4,3-d]pyrimidines, respectively) that form tetrads and other higher–order structures. Addi-tionally, the ring contraction of 5-fluoro-2 (cid:48) ,3 (cid:48) - O -isopropylideneuridine gave rise to the formation of an imidazolidine-4-carboxylic acid nucleoside derivative. Our computational predictions forecasted that the latter derivative will form stable triads.
核酸类似物在生物学和材料科学中起着多方面的作用。我们对揭示这些作用的努力导致黄嘌呤衍生物形成具有四聚体形成能力的高阶结构。在本文中，我们进一步对黄嘌呤核心进行修饰，得到9-二氮杂环和8-氮杂-9-二氮杂环(分别为吡咯[3,2-d]嘧啶和吡唑[4,3-d]嘧啶)，形成四聚体和其他高阶结构。此外，5-氟-2(酸:48)，3(酸:48)- O -异丙基euridine的环收缩生成了咪唑烷-4-羧酸核苷衍生物。我们的计算预测预测后一阶导数将形成稳定的三联征。
{"title":"Synthesis of Heterocycles and Nucleosides Forming Higher—Order Structures","authors":"Z. Váradi, G. Paragi, Z. Kupihar, Z. Kele, L. Kovács","doi":"10.3390/ecsoc-25-11705","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11705","url":null,"abstract":": Nucleic acid analogues play a multifaceted role in biology and materials science. Our efforts towards unveiling these roles led to xanthine derivatives that form higher–order structures with quadruplex-forming abilities. In this paper we present further modifications of the xanthine core resulting into 9-deaza and 8-aza-9-deaza heterocycles (pyrrolo[3,2-d]pyrimidines and pyrazolo[4,3-d]pyrimidines, respectively) that form tetrads and other higher–order structures. Addi-tionally, the ring contraction of 5-fluoro-2 (cid:48) ,3 (cid:48) - O -isopropylideneuridine gave rise to the formation of an imidazolidine-4-carboxylic acid nucleoside derivative. Our computational predictions forecasted that the latter derivative will form stable triads.","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90805197","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}
J. Sanmartín-Matalobos, P. Bermejo-Barrera, Yeneva Alves-Iglesias, A. M. García-Deibe, M. Fondo
{"title":"Synthesis and Characterization of a Dansyl-Based Fluorescent Probe for Analytical Purposes","authors":"J. Sanmartín-Matalobos, P. Bermejo-Barrera, Yeneva Alves-Iglesias, A. M. García-Deibe, M. Fondo","doi":"10.3390/ecsoc-25-11775","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11775","url":null,"abstract":"","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87974472","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}
: For polar Diels–Alder (DA) reactions, one of the most relevant aspects is its dependence on the reaction media; thus, in this work, the objective is to analyze the effect of aqueous micellar systems on the synthesis of compounds of biological interest. Based on the system formed by isoprene and 2-nitrofuran, the experiments were carried out in micellar media formed by amphiphilic ionic liquid ( N , N -dodecylmethylimidazolium bromide) and by conventional surfactants (SDS and CTAB). In this sense, there are few studies that involve DA reactions in micro-heterogeneous systems. The challenge is to have the knowledge about the behavior of ILs in order to take advantage of all their potentialities in order to replace a toxic molecular solvent with ILs, which allows the development of a methodology framed within the concepts of Green Chemistry.
对于极性Diels-Alder (DA)反应，最相关的方面之一是其对反应介质的依赖性;因此，在这项工作中，目的是分析水性胶束系统对合成具有生物学意义的化合物的影响。以异戊二烯和2-硝基呋喃形成的体系为基础，在两亲性离子液体(N, N -十二烷基甲基咪唑溴)和常规表面活性剂(SDS和CTAB)形成的胶束介质中进行了实验。从这个意义上说，很少有研究涉及到微非均相系统中的DA反应。挑战在于了解il的行为，以便利用它们的所有潜力，以便用il取代有毒的分子溶剂，这允许在绿色化学概念框架内开发方法。
{"title":"Comparative Study of the Effects of Aqueous Micellar Media Formed by Amphiphilic Ionic Liquids and Conventional Surfactants on Reactions of Synthetic Interest","authors":"Jesica B. Soffietti, C. Adam, C. Della Rosa","doi":"10.3390/ecsoc-25-11745","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11745","url":null,"abstract":": For polar Diels–Alder (DA) reactions, one of the most relevant aspects is its dependence on the reaction media; thus, in this work, the objective is to analyze the effect of aqueous micellar systems on the synthesis of compounds of biological interest. Based on the system formed by isoprene and 2-nitrofuran, the experiments were carried out in micellar media formed by amphiphilic ionic liquid ( N , N -dodecylmethylimidazolium bromide) and by conventional surfactants (SDS and CTAB). In this sense, there are few studies that involve DA reactions in micro-heterogeneous systems. The challenge is to have the knowledge about the behavior of ILs in order to take advantage of all their potentialities in order to replace a toxic molecular solvent with ILs, which allows the development of a methodology framed within the concepts of Green Chemistry.","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89238569","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}
Dobrochna Rabiej-Kozioł, Marek P. Krzemiński, I. Wiśniewska, A. Szydłowska-Czerniak
{"title":"Bioavailability of Rapeseed Oil Fortified with Ethyl Sinapate","authors":"Dobrochna Rabiej-Kozioł, Marek P. Krzemiński, I. Wiśniewska, A. Szydłowska-Czerniak","doi":"10.3390/ecsoc-25-11725","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11725","url":null,"abstract":"","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91408742","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}
{"title":"An Efficient Synthesis and Antibacterial Activity of Some Novel 3,4–Dihydropyrimidin-2-(1H)-Ones","authors":"N. Pawar, P. N. Patil, Rajashri N. Pachpande","doi":"10.3390/ecsoc-25-11720","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11720","url":null,"abstract":"","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73515029","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}
J. Patil, Hamid Sayyed, H. Suryawanshi, Bhavika Patil
: Presently, nanoparticles are in demand due to several applications. Commercially used metallic nanoparticles are usually comprised of synthetic chemicals. These chemicals are noxious and combustible. Current research had the objective to explore the advantages of nanoparticles using herbal material; hence, we developed silver nanoparticles of aqueous extract of Trigonellafoenum graecum (Fenugreek) seeds and formulated them into tablets. Fenugreek seeds contain steroidal sapogenins and are responsible for the reduction of blood cholesterol levels, control diabetes, enhance breast milk production, digestion aid, and helps in weight loss hence prepared formulation can be recommended in all the above cases. The pre-compression parameters evaluated for formulations are bulk density, tapped density, Carr’s index, Hausner’s ratio, and angle of repose, and the results are 0.16 gm/cc, 0.86 gm/cc, 14.16, ratio 1.13 and 32 ◦ , respectively; whereas post-compression parameters are weight variation, friability, hardness, thickness, and disintegration, and the results are 0.504 gm, 0.2%, 3.21 gm/cm 2 , 2.55 mm, and 7 min, respectively.
{"title":"Formulation and Evaluation of Verdant Tablets Containing Saponin-Coalesced Silver Nanoparticles Got from Fenugreek Seed Extract","authors":"J. Patil, Hamid Sayyed, H. Suryawanshi, Bhavika Patil","doi":"10.3390/ecsoc-25-11765","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11765","url":null,"abstract":": Presently, nanoparticles are in demand due to several applications. Commercially used metallic nanoparticles are usually comprised of synthetic chemicals. These chemicals are noxious and combustible. Current research had the objective to explore the advantages of nanoparticles using herbal material; hence, we developed silver nanoparticles of aqueous extract of Trigonellafoenum graecum (Fenugreek) seeds and formulated them into tablets. Fenugreek seeds contain steroidal sapogenins and are responsible for the reduction of blood cholesterol levels, control diabetes, enhance breast milk production, digestion aid, and helps in weight loss hence prepared formulation can be recommended in all the above cases. The pre-compression parameters evaluated for formulations are bulk density, tapped density, Carr’s index, Hausner’s ratio, and angle of repose, and the results are 0.16 gm/cc, 0.86 gm/cc, 14.16, ratio 1.13 and 32 ◦ , respectively; whereas post-compression parameters are weight variation, friability, hardness, thickness, and disintegration, and the results are 0.504 gm, 0.2%, 3.21 gm/cm 2 , 2.55 mm, and 7 min, respectively.","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76292783","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}
Y. Trukhanova, D. A. Kolesnik, E. Kuvaeva, G. V. Ksenofontova, M. V. Sopova, I. Yakovlev
{"title":"Synthesis and Biological Activity of New Derivatives of Isoindoline-1,3-dione as Non-Steroidal Analgesics","authors":"Y. Trukhanova, D. A. Kolesnik, E. Kuvaeva, G. V. Ksenofontova, M. V. Sopova, I. Yakovlev","doi":"10.3390/ecsoc-25-11773","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11773","url":null,"abstract":"","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73795030","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}
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