Pub Date : 2024-07-25DOI: 10.2174/0113852728320325240710053300
Xun Yang, Haiyan Li, Quan Jiang, Zhiguo Lei, Yuxuan Xiao, Jialing Liu, Wengui Duan, Lin Yu
N-arylated heterocycles are a significant class of core scaffolds in medicinal chemistry, materials science, and agrochemistry, highlighting their importance in various fields. The development of innovative methodologies for synthesizing these fundamental structures has been a central focus in organic synthesis. Over the past few decades, numerous approaches have been established to synthesize N-aryl heterocycles efficiently. Among these methods, the direct N-arylation of N-H heterocycles stands out as one of the most straightforward and robust strategies for accessing N-arylated heterocycles. This review provides a comprehensive review of the recent advances in the synthesis of N-arylated heterocycles, encompassing the relevant literature from the past decade. The review summarizes the N-arylation of N-H heterocycles using various catalytic systems, including palladium, nickel, copper, visible light-induced metal-catalyzed, and metal-free catalyzed methodologies. These advances highlighted the continuous evolution and optimization of synthetic strategies to create diverse and complex N-arylated heterocycles, which are pivotal for furthering research and development in multiple scientific domains.
{"title":"Recent Advances in N-Arylation of Heterocycles in the Past Decade","authors":"Xun Yang, Haiyan Li, Quan Jiang, Zhiguo Lei, Yuxuan Xiao, Jialing Liu, Wengui Duan, Lin Yu","doi":"10.2174/0113852728320325240710053300","DOIUrl":"https://doi.org/10.2174/0113852728320325240710053300","url":null,"abstract":"N-arylated heterocycles are a significant class of core scaffolds in medicinal chemistry, materials science, and agrochemistry, highlighting their importance in various fields. The development of innovative methodologies for synthesizing these fundamental structures has been a central focus in organic synthesis. Over the past few decades, numerous approaches have been established to synthesize N-aryl heterocycles efficiently. Among these methods, the direct N-arylation of N-H heterocycles stands out as one of the most straightforward and robust strategies for accessing N-arylated heterocycles. This review provides a comprehensive review of the recent advances in the synthesis of N-arylated heterocycles, encompassing the relevant literature from the past decade. The review summarizes the N-arylation of N-H heterocycles using various catalytic systems, including palladium, nickel, copper, visible light-induced metal-catalyzed, and metal-free catalyzed methodologies. These advances highlighted the continuous evolution and optimization of synthetic strategies to create diverse and complex N-arylated heterocycles, which are pivotal for furthering research and development in multiple scientific domains.","PeriodicalId":10926,"journal":{"name":"Current Organic Chemistry","volume":"2 1","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141775621","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-23DOI: 10.2174/0113852728317918240710112955
Maykel González Torres
Chitosan (CS) is a natural polymer obtained by removing acetyl groups from chitin through alkaline hydrolysis. It possesses biodegradable properties and exhibits immunological, antibacterial, and wound-healing activities. This polysaccharide has undergone modification through radiation-induced graft copolymerization to broaden its application scope. The potential applications of CS can be expanded by introducing side chains through grafting. This article aims to review the innovative alternatives of gamma-graft-copolymerized CS and, for the first time, comprehensively examines the current applications of CS derivatives in dye removal, metal adsorption, antibacterial interventions, biomedical practices, drug delivery systems, and tissue engineering.
{"title":"Current Status and Applications of Gamma Radiation-induced Graft Copolymerized Chitosan","authors":"Maykel González Torres","doi":"10.2174/0113852728317918240710112955","DOIUrl":"https://doi.org/10.2174/0113852728317918240710112955","url":null,"abstract":"Chitosan (CS) is a natural polymer obtained by removing acetyl groups from chitin through alkaline hydrolysis. It possesses biodegradable properties and exhibits immunological, antibacterial, and wound-healing activities. This polysaccharide has undergone modification through radiation-induced graft copolymerization to broaden its application scope. The potential applications of CS can be expanded by introducing side chains through grafting. This article aims to review the innovative alternatives of gamma-graft-copolymerized CS and, for the first time, comprehensively examines the current applications of CS derivatives in dye removal, metal adsorption, antibacterial interventions, biomedical practices, drug delivery systems, and tissue engineering.","PeriodicalId":10926,"journal":{"name":"Current Organic Chemistry","volume":"52 1","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141775622","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-22DOI: 10.2174/0113852728316450240702075812
Tarik E. Ali, Ayat K. Alsolimani, Mohammed A. Assiri, Ali A. Shati, Mohammad Y. Alfaifi, Serag E. I. Elbehairi
: A simple synthetic method was performed to design a novel series of polycyclic systems consisting of a coumarin-pyrazole-thiazole skeleton linked with a completed thiazole ring via hydrazone linkage. The methodology depended on the cyclization of the active precursor 2-[(3-(2-oxo-2H-chromen-3-yl)-1-(4- phenylthiazol-2-yl)-1H-pyrazol-4-yl)methy-lene]hydrazine-1-carbothioamide (2) by its reaction with a series of α-halocarbonyl reagents under Hantzsch reaction conditions. The spectral and analytical data confirmed the structures of all the synthesized compounds. The target compounds were screened for their in vitro anticancer activity. The cytotoxic effects of obtained compound were screened against cancer cell lines (MCF-7, HepG2, and HCT116) using the standard SRB method. Furthermore, products 4, 5, and 7b were the most active against all cancer cell lines, compared with Doxorubicin. These bioactive products effectively suppress the growth of cancer cells by activating the cell death program through late apoptosis. In addition, products 4 and 5 arrested the cell cycle at the S and G2 phases, while product 7b has the ability to arrest the cell cycle at the G2 phase against all three cancer cells. The molecular docking of the products 4, 5, and 7b showed good binding affinities with Cyclin-dependent kinase 8 (CDK-8), while the ADMET prediction supported that these bioactive products can be promising anticancer agents.
{"title":"Design, Synthesis, Cytotoxicity Profiling, Molecular Docking and ADMET Studies of Novel Functionalized Coumarin-Pyrazole-Thiazole Hybrids: Cyclization of Chromonyl Thiazolyl Pyrazolyl Thiosemicarbazone with α-Halocarbonyl Reagents","authors":"Tarik E. Ali, Ayat K. Alsolimani, Mohammed A. Assiri, Ali A. Shati, Mohammad Y. Alfaifi, Serag E. I. Elbehairi","doi":"10.2174/0113852728316450240702075812","DOIUrl":"https://doi.org/10.2174/0113852728316450240702075812","url":null,"abstract":": A simple synthetic method was performed to design a novel series of polycyclic systems consisting of a coumarin-pyrazole-thiazole skeleton linked with a completed thiazole ring via hydrazone linkage. The methodology depended on the cyclization of the active precursor 2-[(3-(2-oxo-2H-chromen-3-yl)-1-(4- phenylthiazol-2-yl)-1H-pyrazol-4-yl)methy-lene]hydrazine-1-carbothioamide (2) by its reaction with a series of α-halocarbonyl reagents under Hantzsch reaction conditions. The spectral and analytical data confirmed the structures of all the synthesized compounds. The target compounds were screened for their in vitro anticancer activity. The cytotoxic effects of obtained compound were screened against cancer cell lines (MCF-7, HepG2, and HCT116) using the standard SRB method. Furthermore, products 4, 5, and 7b were the most active against all cancer cell lines, compared with Doxorubicin. These bioactive products effectively suppress the growth of cancer cells by activating the cell death program through late apoptosis. In addition, products 4 and 5 arrested the cell cycle at the S and G2 phases, while product 7b has the ability to arrest the cell cycle at the G2 phase against all three cancer cells. The molecular docking of the products 4, 5, and 7b showed good binding affinities with Cyclin-dependent kinase 8 (CDK-8), while the ADMET prediction supported that these bioactive products can be promising anticancer agents.","PeriodicalId":10926,"journal":{"name":"Current Organic Chemistry","volume":"47 1","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141754130","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-22DOI: 10.2174/0113852728320798240711052115
Abdullah A. Alamri, Rita M. A. Borik, Ashraf H. F. Abd El-Wahab, Al-Anood M. Al-Dies, Hany M. Mohamed, Diaa A. Ibrahim
: A one-pot three/two-component reaction of 3-acetyl-coumarin (1), 4/3-anisaldehyde (2a,b) and malononitrile or 3-acetylcoumarin (1) and 2-(4/3-methoxybenzylidene)malononitrile (5a,b) in glacial acetic acid/ammonium acetate under reflux afforded 2-amino-4-(4/3-methoxyphenyl)-6-(2-oxo-2H-chromen-3- yl)nicotinonitrile (4a,b). Spectral data helped establish the structures of the compounds. Subsequently, an antiproliferative evaluation against a selected line of tumorous cells (HepG-2, MDA-MB-231 and A549) was performed in-vitro for the novel 2-amino-4-(4/3-methoxyphenyl)-6-(2-oxo-2H-chromen-3-yl)nicotinonitrile (4a,b). Compound 4a exhibited good efficiency against the MDA-MB-231 and A549 cell lines compared with the reference drug (Vinblastine). Furthermore, the chemical reactivity of both compounds was discussed using DFT. Lastly, a molecular docking analysis was addressed and conducted for these desired molecules.
{"title":"Heteroaromatization of Coumarin Part III: One-Pot Synthesis, Antitumor Activity, DFT Studies, and Molecular Docking of Coumarin Derivatives","authors":"Abdullah A. Alamri, Rita M. A. Borik, Ashraf H. F. Abd El-Wahab, Al-Anood M. Al-Dies, Hany M. Mohamed, Diaa A. Ibrahim","doi":"10.2174/0113852728320798240711052115","DOIUrl":"https://doi.org/10.2174/0113852728320798240711052115","url":null,"abstract":": A one-pot three/two-component reaction of 3-acetyl-coumarin (1), 4/3-anisaldehyde (2a,b) and malononitrile or 3-acetylcoumarin (1) and 2-(4/3-methoxybenzylidene)malononitrile (5a,b) in glacial acetic acid/ammonium acetate under reflux afforded 2-amino-4-(4/3-methoxyphenyl)-6-(2-oxo-2H-chromen-3- yl)nicotinonitrile (4a,b). Spectral data helped establish the structures of the compounds. Subsequently, an antiproliferative evaluation against a selected line of tumorous cells (HepG-2, MDA-MB-231 and A549) was performed in-vitro for the novel 2-amino-4-(4/3-methoxyphenyl)-6-(2-oxo-2H-chromen-3-yl)nicotinonitrile (4a,b). Compound 4a exhibited good efficiency against the MDA-MB-231 and A549 cell lines compared with the reference drug (Vinblastine). Furthermore, the chemical reactivity of both compounds was discussed using DFT. Lastly, a molecular docking analysis was addressed and conducted for these desired molecules.","PeriodicalId":10926,"journal":{"name":"Current Organic Chemistry","volume":"22 1","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141754129","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The development of effective therapeutics to control the infections of drug-resistant bacterial strains is the thrust area in medicinal chemistry. The glycoconjugate containing O-antigenic oligosaccharide and a carrier protein linked through a linker can develop an antigen against gram-negative bacteria like Escherichia coli (E. coli), Shigella, Providencia, and Salmonella. Therefore, the chemical synthesis of glycoconjugate vaccine candidates against these bacterial strains is a growing demand of modern-day research. The synthesis of carbohydrate parts that are oligosaccharides is the most challenging. Significant developments in oligosaccharide synthesis have occurred over the past few decades. This review will focus on the chemical synthesis of different complex oligosaccharides related to different strains of E. coli. This review concludes with a summary of synthetic developments and prospects.
开发有效的疗法来控制耐药菌株的感染是药物化学的重点领域。含有 O 型抗原寡糖和通过连接体连接的载体蛋白的糖类共轭物可产生抗原来对抗革兰氏阴性菌，如大肠杆菌（E. coli）、志贺氏菌、普罗维登菌和沙门氏菌。因此，化学合成针对这些细菌菌株的糖结合候选疫苗是现代研究日益增长的需求。低聚糖碳水化合物部分的合成最具挑战性。在过去几十年中，寡糖合成技术取得了长足的发展。本综述将重点介绍与大肠杆菌不同菌株相关的不同复杂寡糖的化学合成。本综述最后总结了合成的发展和前景。
{"title":"Recent Insights into the Synthesis of Oligosaccharides from Escherichia coli: Review","authors":"Anjali Sharma, Padmashri Rabha, Rajib Panchadhayee","doi":"10.2174/0113852728322510240711045944","DOIUrl":"https://doi.org/10.2174/0113852728322510240711045944","url":null,"abstract":"The development of effective therapeutics to control the infections of drug-resistant bacterial strains is the thrust area in medicinal chemistry. The glycoconjugate containing O-antigenic oligosaccharide and a carrier protein linked through a linker can develop an antigen against gram-negative bacteria like Escherichia coli (E. coli), Shigella, Providencia, and Salmonella. Therefore, the chemical synthesis of glycoconjugate vaccine candidates against these bacterial strains is a growing demand of modern-day research. The synthesis of carbohydrate parts that are oligosaccharides is the most challenging. Significant developments in oligosaccharide synthesis have occurred over the past few decades. This review will focus on the chemical synthesis of different complex oligosaccharides related to different strains of E. coli. This review concludes with a summary of synthetic developments and prospects.","PeriodicalId":10926,"journal":{"name":"Current Organic Chemistry","volume":"204 1","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141754208","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Inulin is a naturally occurring polydisperse and flexible polysaccharide. It is a non-toxic, biocompatible, water-soluble, biodegradable, and affordable polymer. Furthermore, because of its unique properties, inulin has piqued the interest of many researchers. Studies have revealed that inulin demonstrates a broad range of biological activities such as antioxidant, antifungal, antibacterial, anticancer, antidiabetic, and immunological modulating properties in the pharmaceutical industry. Inulin has been demonstrated to function as a sweetener, fat replacer, water-holding agent, thickener, texture modifier, and browning agent in dairy and bakery food items. Inulin has produced EMF, a biofuel that is one of the most desirable gasoline substitutes. Today, inulin is widely used in the chemical, food, and pharmaceutical industries. Chemical modification of inulin is an important methodology for expanding its applications in a variety of fields. This article discusses the numerous synthesis methods used to modify the inulin structure, including conventional and non-conventional methods such as microwave and ultrasonication, as well as the diverse applications of inulin and its derivatives in several industries. This review article seeks to explore the current state of research on synthetic modifications of inulin and its wide array of applications.
{"title":"Synthetic Development in Inulin Modification and its Applications","authors":"Mahendra Singh, Himanshu Rani, Harish Kumar Chopra","doi":"10.2174/0113852728318805240627112106","DOIUrl":"https://doi.org/10.2174/0113852728318805240627112106","url":null,"abstract":"Inulin is a naturally occurring polydisperse and flexible polysaccharide. It is a non-toxic, biocompatible, water-soluble, biodegradable, and affordable polymer. Furthermore, because of its unique properties, inulin has piqued the interest of many researchers. Studies have revealed that inulin demonstrates a broad range of biological activities such as antioxidant, antifungal, antibacterial, anticancer, antidiabetic, and immunological modulating properties in the pharmaceutical industry. Inulin has been demonstrated to function as a sweetener, fat replacer, water-holding agent, thickener, texture modifier, and browning agent in dairy and bakery food items. Inulin has produced EMF, a biofuel that is one of the most desirable gasoline substitutes. Today, inulin is widely used in the chemical, food, and pharmaceutical industries. Chemical modification of inulin is an important methodology for expanding its applications in a variety of fields. This article discusses the numerous synthesis methods used to modify the inulin structure, including conventional and non-conventional methods such as microwave and ultrasonication, as well as the diverse applications of inulin and its derivatives in several industries. This review article seeks to explore the current state of research on synthetic modifications of inulin and its wide array of applications.","PeriodicalId":10926,"journal":{"name":"Current Organic Chemistry","volume":"40 1","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141612238","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-10DOI: 10.2174/0113852728316869240626060258
Satish V. Akolkar, Mubarak H. Shaikh, Amol A. Nagargoje, Jaiprakash N. Sangshetti, Manoj G. Damale, Bapurao B. Shingate
: We have created novel 1,2,3-triazole-based benzothiazinone derivatives in the current work. The produced compounds' in vitro antioxidant, antifungal, and antitubercular properties were assessed. Moreover, a simulated molecular docking analysis was conducted on the cytochrome P450 lanosterol 14α-demethylase active site to elucidate the enzyme's binding affinity and interactions with synthesised benzothiazinone derivatives. A notable correlation between these compounds' antifungal activity and binding score was indicated by molecular docking data. The synthetic 1,2,3-triazole-based benzothiazinone derivatives may satisfy the structural criteria for creating novel antifungal drugs, according to the results of the in vitro and in silico investigations. result: The synthesized derivatives were evaluated for in vitro antifungal, Antitubercular and antioxidant activity. Furthermore, an in silico molecular docking study was performed against the active site of cytochrome P450 lanosterol 14α-demethylase to explicate the binding affinity and binding interactions of enzyme and synthesized benzothiazinone derivatives. Molecular docking data suggested a significant relationship between the binding score and antifungal activity for these molecules. The findings of the in vitro and in silico studies indicate that the synthesized 1,2,3-triazole-based benzothiazinone derivatives may meet the structural requirements for developing new antifungal agents.
{"title":"Synthesis and Biological Evaluation of 1,2,3-Triazole Appended Benzothiazinone Derivatives via Click Chemistry","authors":"Satish V. Akolkar, Mubarak H. Shaikh, Amol A. Nagargoje, Jaiprakash N. Sangshetti, Manoj G. Damale, Bapurao B. Shingate","doi":"10.2174/0113852728316869240626060258","DOIUrl":"https://doi.org/10.2174/0113852728316869240626060258","url":null,"abstract":": We have created novel 1,2,3-triazole-based benzothiazinone derivatives in the current work. The produced compounds' in vitro antioxidant, antifungal, and antitubercular properties were assessed. Moreover, a simulated molecular docking analysis was conducted on the cytochrome P450 lanosterol 14α-demethylase active site to elucidate the enzyme's binding affinity and interactions with synthesised benzothiazinone derivatives. A notable correlation between these compounds' antifungal activity and binding score was indicated by molecular docking data. The synthetic 1,2,3-triazole-based benzothiazinone derivatives may satisfy the structural criteria for creating novel antifungal drugs, according to the results of the in vitro and in silico investigations. result: The synthesized derivatives were evaluated for in vitro antifungal, Antitubercular and antioxidant activity. Furthermore, an in silico molecular docking study was performed against the active site of cytochrome P450 lanosterol 14α-demethylase to explicate the binding affinity and binding interactions of enzyme and synthesized benzothiazinone derivatives. Molecular docking data suggested a significant relationship between the binding score and antifungal activity for these molecules. The findings of the in vitro and in silico studies indicate that the synthesized 1,2,3-triazole-based benzothiazinone derivatives may meet the structural requirements for developing new antifungal agents.","PeriodicalId":10926,"journal":{"name":"Current Organic Chemistry","volume":"1 1","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141587912","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-10DOI: 10.2174/0113852728311593240626091836
Dhanaji M. Mohite, Pandurang M. Chavhan, Arghya Basu
A modified solid-liquid halex reaction was developed in the presence of a robust phase transfer catalyst under microwave conditions. A fast, mild, and practical microwave-assisted synthesis of 2,3-difluoro-5- chloropyridine 3 starting from 2,3,5-trichlorpyridine 1 and spray-dried KF in polar aprotic solvent was developed. The addition of Tetrakis (piperidino) phosphonium chloride as phase transfer catalyst A was studied under microwave irritation (450W) and increased the yield and significantly reduced the reaction time in contrast to the conventional heating procedure. The highest reaction rate was observed at 5 wt% phase transfer phosphonium salt catalyst to 2,3,5-trichloropyridine 1.
{"title":"Modified Microwave-assisted Solid-liquid Halex Reaction using Phosphonium Salt as Efficient and Robust Phase Transfer Catalyst","authors":"Dhanaji M. Mohite, Pandurang M. Chavhan, Arghya Basu","doi":"10.2174/0113852728311593240626091836","DOIUrl":"https://doi.org/10.2174/0113852728311593240626091836","url":null,"abstract":"A modified solid-liquid halex reaction was developed in the presence of a robust phase transfer catalyst under microwave conditions. A fast, mild, and practical microwave-assisted synthesis of 2,3-difluoro-5- chloropyridine 3 starting from 2,3,5-trichlorpyridine 1 and spray-dried KF in polar aprotic solvent was developed. The addition of Tetrakis (piperidino) phosphonium chloride as phase transfer catalyst A was studied under microwave irritation (450W) and increased the yield and significantly reduced the reaction time in contrast to the conventional heating procedure. The highest reaction rate was observed at 5 wt% phase transfer phosphonium salt catalyst to 2,3,5-trichloropyridine 1.","PeriodicalId":10926,"journal":{"name":"Current Organic Chemistry","volume":"382 1","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141587913","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
: Joint degeneration is a possible outcome of rheumatoid arthritis, an inflammatory disorder that is chronic, systemic, and progressive. Andrographis paniculata is known to contain many phytoconstituents that have demonstrated therapeutic effects in terms of inflammation. However, the therapeutic actions of Andrographis paniculata are still not fully understood. The present study aims to better understand rheumatoid arthritis and its possible treatments through the identification of relevant targets and mechanisms. A total of 47 common targets were identified for andrographolide, while 38 common targets were found for neoandrographolide. Additionally, 53 common targets were discovered for 5-hydroxy-7-methoxy flavone. Furthermore, a screening process was carried out to identify 9 primary hubb targets for andrographolide, neoandrographolide, and 5-hydroxy-7-methoxy flavone. Twenty useful gene ontology (GO) terms and twenty important Kyoto Encyclopaedia of Genes and Genomes (KEGG) pathways were found through the study of gene ontology and pathways. Molecular-docking analysis revealed that andrographolide had the highest binding efficacy (- 7.8) towards the Serine/threonine-protein kinase 2 (PIM2) target. On the other hand, neoandrographolide displayed the highest binding efficacy towards mitogen-activated protein kinase (MAPK1) and Interlukine-6 (IL6), with docking scores of (-9.0) and (-7.2), respectively. Furthermore, 5-hydroxy-7-methoxy flavone showed the highest docking score (-6.6) with Arachidonate 12-lipoxygenase (ALOX-12). The identification of numerous targets linked with various pathways in the treatment of Rheumatoid arthritis proves to be a helpful resource for future investigation into the mechanism and clinical applications of AP, NP, and 5H-flavone.
{"title":"Unraveling of Potential Targets for Andrographolide, Neoandrographolide and 5-hydroxy, 7-methoxy Flavone in the Treatment of Rheumatoid Arthritis using Network Pharmacology and Molecular docking","authors":"Neha Rana, Parul Grover, Hridayanand Singh, Sameer Rastogi, Pooja A. Chawla","doi":"10.2174/0113852728301440240620093751","DOIUrl":"https://doi.org/10.2174/0113852728301440240620093751","url":null,"abstract":": Joint degeneration is a possible outcome of rheumatoid arthritis, an inflammatory disorder that is chronic, systemic, and progressive. Andrographis paniculata is known to contain many phytoconstituents that have demonstrated therapeutic effects in terms of inflammation. However, the therapeutic actions of Andrographis paniculata are still not fully understood. The present study aims to better understand rheumatoid arthritis and its possible treatments through the identification of relevant targets and mechanisms. A total of 47 common targets were identified for andrographolide, while 38 common targets were found for neoandrographolide. Additionally, 53 common targets were discovered for 5-hydroxy-7-methoxy flavone. Furthermore, a screening process was carried out to identify 9 primary hubb targets for andrographolide, neoandrographolide, and 5-hydroxy-7-methoxy flavone. Twenty useful gene ontology (GO) terms and twenty important Kyoto Encyclopaedia of Genes and Genomes (KEGG) pathways were found through the study of gene ontology and pathways. Molecular-docking analysis revealed that andrographolide had the highest binding efficacy (- 7.8) towards the Serine/threonine-protein kinase 2 (PIM2) target. On the other hand, neoandrographolide displayed the highest binding efficacy towards mitogen-activated protein kinase (MAPK1) and Interlukine-6 (IL6), with docking scores of (-9.0) and (-7.2), respectively. Furthermore, 5-hydroxy-7-methoxy flavone showed the highest docking score (-6.6) with Arachidonate 12-lipoxygenase (ALOX-12). The identification of numerous targets linked with various pathways in the treatment of Rheumatoid arthritis proves to be a helpful resource for future investigation into the mechanism and clinical applications of AP, NP, and 5H-flavone.","PeriodicalId":10926,"journal":{"name":"Current Organic Chemistry","volume":"16 1","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141547094","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-04DOI: 10.2174/0113852728314401240613045216
Olga I. Adaeva, Dmitry V. Demchuk, Roman A. Dolotov, Tatiana S. Kuptsova, Marina N. Semenova, Victor V. Semenov
: The synthesis of a series of multifunctionalized 4,5-diarylpyridazines via inverse electron-demand Diels-Alder reaction between highly oxygenated diarylacetylenes and unsubstituted 1,2,4,5-tetrazine was developed using polyalkoxybenzenes isolated from industrial essential oils as starting material. The reaction proceeded smoothly to afford combretastatin A-4 analogs with pyridazine linker in consistently high yield. In a phenotypic sea urchin embryo assay, diarylpyridazine with 3,4,5-trimethoxyphenyl and 3-amino-4- methoxyphenyl aryl rings was identified as a potent antimitotic microtubule-destabilizing compound.
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