Letters in Organic Chemistry最新文献_第2页

One-Pot Syntheses and Enzyme Inhibition Studies of New C-28 Ester Derivatives of Betulinic Acid 白桦脂酸 C-28 酯新衍生物的一锅合成和酶抑制研究

IF 0.8 4区化学

Letters in Organic Chemistry Pub Date : 2024-08-12 DOI: 10.2174/0115701786324362240726102810

Muhammad Shaiq Ali, Sumera Shezadi, Azra Akbar, Humaira Zafar, Muhammad Imran Malik, Mahreen Lateef

{"title":"One-Pot Syntheses and Enzyme Inhibition Studies of New C-28 Ester Derivatives of Betulinic Acid","authors":"Muhammad Shaiq Ali, Sumera Shezadi, Azra Akbar, Humaira Zafar, Muhammad Imran Malik, Mahreen Lateef","doi":"10.2174/0115701786324362240726102810","DOIUrl":"https://doi.org/10.2174/0115701786324362240726102810","url":null,"abstract":": Betulinic acid and its various synthetic derivatives have been reported to possess diverse biological activities and some of these may serve as useful therapeutic agents for a variety of human disorders. In this perspective, we have now developed convenient one-pot syntheses of new C-28 esters (2-7) of betulinic acid by esterification of the carboxylic moiety of betulinic acid (1) with various alkylating agents. All the target compounds were subjected to enzyme inhibition studies to ascertain their possible therapeutic utility. Compound 5 showed very potent lipoxygenase inhibitory activity with an IC50 value of 13.2 μM, being much lower than the IC50 value of 22.4 μM of baicalein, which was used as the standard. Butulinic acid itself and compound 6 also showed significant inhibitory potential (IC50: 32.4 and 25.1 μM) against the same enzyme. The activities of both compounds 5 and 6 have been justified by intensive docking studies. Compounds 2 and 3 exhibited substantial inhibition (IC50: 18.4 and 21.5 μM) against the enzyme butrylcholinesterase, compared to serine used as the standard (IC50: 7.8 μM).","PeriodicalId":18116,"journal":{"name":"Letters in Organic Chemistry","volume":"6 1","pages":""},"PeriodicalIF":0.8,"publicationDate":"2024-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142224404","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

Molecular Docking and Modelling Studies for Identifying Novel Oxadiazole Derivatives to Inhibit COX-2 Enzyme as an Anti-Inflammatory Treatment 识别新型噁二唑衍生物的分子对接和建模研究，以抑制 COX-2 酶作为一种抗炎疗法

IF 0.8 4区化学

Letters in Organic Chemistry Pub Date : 2024-08-12 DOI: 10.2174/0115701786314768240726053647

Tarun Chaudhary, Prabhat Kumar Upadhyay, Ritu Kataria

{"title":"Molecular Docking and Modelling Studies for Identifying Novel Oxadiazole Derivatives to Inhibit COX-2 Enzyme as an Anti-Inflammatory Treatment","authors":"Tarun Chaudhary, Prabhat Kumar Upadhyay, Ritu Kataria","doi":"10.2174/0115701786314768240726053647","DOIUrl":"https://doi.org/10.2174/0115701786314768240726053647","url":null,"abstract":"The objective of the study was to develop new Oxadiazole compounds using docking simulation studies for inhibitory action against the Cycloxoygenase-2(COX-2) enzyme. The study aimed at the development and identification of novel and potent derivatives of 1,3,4-oxadiazole for targeting anti-inflammatory disease by screening their inhibitory action against COX-2 enzyme with schrodinger molecular docking software and molecular simulation by GROMACS 2022. A library of 375 novel compounds of 1,3,4-oxadiazoles derivatives was designed and proposed for docking against cyclooxygenase-2 enzyme (COX-2)PDB ID: 6BL4, which was downloaded from protein data bank site https://www.rcsb.org/. MD simulations for three models were performed, namely, compound A-Cox-2, E-Cox-2, and G-Cox-2, for 100 ns. Out of 375 proposed compounds, the top 16 compounds with good docking scores and binding energy were selected for further ADME profile studies in which all compounds showed good results as compared to Standard drugs. RMSD values of 0.2 nm showed that all ligand-Cox-2 complexes were stable during simulation. Compound G was the most efficient in decent interactions with the residues ARG120 and TYR355 of cyclooxygenase- 2, which were stable for 29.32, 21.52, and 12.00% duration of simulation along with comparatively better h-bond contacts. All potential inhibitors met Lipinski's rule of five, indicating oral availability. The potential compounds may be further evaluated for pharmacological activities using different in vitro and in vivo evaluations.","PeriodicalId":18116,"journal":{"name":"Letters in Organic Chemistry","volume":"31 1","pages":""},"PeriodicalIF":0.8,"publicationDate":"2024-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142185364","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

Insight into the Various Synthetic Approaches of 1,3,4 and 1,2,4-Oxadiazole and its Derivatives, Along with their Remarkable Biological Activities 深入了解 1,3,4 和 1,2,4- 恶二唑及其衍生物的各种合成方法及其显著的生物活性

IF 0.8 4区化学

Letters in Organic Chemistry Pub Date : 2024-08-08 DOI: 10.2174/0115701786318560240723060417

Sadhana Sharma, Chandana Majee, Rupa Mazumder, Kavita Rana, Swrupanjali Padhi, Avijit Mazumder, Saumya Das, Pankaj Kumar Tyagi, Sachin Kumar Singh

{"title":"Insight into the Various Synthetic Approaches of 1,3,4 and 1,2,4-Oxadiazole and its Derivatives, Along with their Remarkable Biological Activities","authors":"Sadhana Sharma, Chandana Majee, Rupa Mazumder, Kavita Rana, Swrupanjali Padhi, Avijit Mazumder, Saumya Das, Pankaj Kumar Tyagi, Sachin Kumar Singh","doi":"10.2174/0115701786318560240723060417","DOIUrl":"https://doi.org/10.2174/0115701786318560240723060417","url":null,"abstract":": Oxadiazole is an organic compound featuring a heterocyclic ring housing carbon, oxygen, and nitrogen atoms. Due to their heightened stability in biological environments, oxadiazole rings exhibit significant biological activities, effectively addressing health challenges like infectious diseases and chronic conditions in medicinal chemistry. The main objective of this review is to discuss various synthetic approaches related to oxadiazole and its derivatives, along with their biological activities. The diverse reactivity positions oxadiazole as a valuable building block in organic synthesis, with derivatives exhibiting promising pharmacological activities. It involves a systematic literature review, critical analysis, and synthesis of existing research. This review comprises the everexpanding chemical knowledge but also holds significant implications for drug development. The various synthetic approaches, such as Suzuki-Miyaura, Stille coupling [3+2] cycloaddition reaction, and many more methods used for the synthesis of oxadiazole through different schemes, have been discussed thoroughly. This review also concisely associated the pharmacological activities of new oxadiazole and its derivatives, such as prenoxdiazine, dapagliflozin, nesapidil, pleconaril, and so on. This review highlights the importance of continued research into the structure-activity relationships of oxadiazole derivatives, paving the way for developing novel and more potent therapeutic agents.","PeriodicalId":18116,"journal":{"name":"Letters in Organic Chemistry","volume":"19 1","pages":""},"PeriodicalIF":0.8,"publicationDate":"2024-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141943368","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

Efficient Green Synthesis and Characterization of Benzil and its Derivatives Using Microwave Irradiation 利用微波辐照对苯齐及其衍生物进行高效绿色合成和表征

IF 0.8 4区化学

Letters in Organic Chemistry Pub Date : 2024-08-07 DOI: 10.2174/0115701786308700240801062008

Krina Patel, Drashti Shah, Dev Jani, Neel Savaliya, Dharti Patel, Ashish Shah, Pinkal Patel, Ashish Patel

{"title":"Efficient Green Synthesis and Characterization of Benzil and its Derivatives Using Microwave Irradiation","authors":"Krina Patel, Drashti Shah, Dev Jani, Neel Savaliya, Dharti Patel, Ashish Shah, Pinkal Patel, Ashish Patel","doi":"10.2174/0115701786308700240801062008","DOIUrl":"https://doi.org/10.2174/0115701786308700240801062008","url":null,"abstract":": The main aim of the present work was to conduct the one-pot microwave-assisted green synthesis of benzil and its derivatives. Benzil is acknowledged as a pivotal scaffold in the realm of medicinal and organic chemistry, owing to its extensive utilities. Due to the various merits of the green technology approach compared to classical methodology and the provision of sustainable chemistry, this reaction has received renewed interest for preparing benzil derivatives in an environmentally friendly manner with improved yields. We have, herein, presented a highly efficient route for the synthesis of benzil derivatives utilizing acetophenone and benzene derivatives as primary substrates. Notably, this synthesis obviates the necessity for any potentially hazardous catalyst and employs microwave irradiation and iodine green oxidant to facilitate the reaction. All synthesized compounds were characterized by spectroscopic techniques, such as IR, 1H NMR, and mass spectrometry. A green and efficient microwave-assisted synthesis methodology for benzil and its derivatives has been developed using iodine green oxidant. This approach has yielded the desired benzil derivatives with remarkable efficiency, achieving yields ranging from 91% to 97% within a short time of 10-15 minutes; the derivatives have been characterized using spectral techniques, viz., IR, 1H NMR, and mass spectrometry. It is noteworthy that the entire reaction optimization process has been conducted in an environmentally friendly manner, thereby exemplifying a synthetic methodology being both environmentally sustainable and economically viable, compared to conventional techniques.","PeriodicalId":18116,"journal":{"name":"Letters in Organic Chemistry","volume":"2012 1","pages":""},"PeriodicalIF":0.8,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141943357","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}

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Solvent-free Simplistic Synthesis of Bis(indolyl) Methanes Using Tulsion®-8052 MP Resin 使用 Tulsion®-8052 MP 树脂无溶剂简单合成双(吲哚基)甲烷

IF 0.8 4区化学

Letters in Organic Chemistry Pub Date : 2024-08-07 DOI: 10.2174/0115701786318532240722113525

Suhas Sadaphal, Sanjay Gaikwad, Shubham Dagale, Suryakant Sapkal, Pratibha Randhavane, Jaishree Gawai

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Microwave-assisted Synthesis and Reactivity of Some Novel Chromenopyridine Derivatives Bearing 2,4-Diamino-3-Carbonitrile Moieties 含有 2,4-二氨基-3-腈分子的一些新型色并吡啶衍生物的微波辅助合成及其反应活性

IF 0.8 4区化学

Letters in Organic Chemistry Pub Date : 2024-08-07 DOI: 10.2174/0115701786316461240801065332

Amira Trabelsi, Emna khdhiri, Souhir Abid, Lujain M. Althobaiti, Houcine Ammar

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Synthesis, Spectral Characterization, Molecular Docking Studies, and Biological Evaluation of Pyranoquinolinyl Acrylic Acid (PQAA) Diastereomers as Antibacterial Agents Promoted by Indium (III) Triflate in 1-Butyl-3-Methylimidazolium Tetrafluoroborate Ionic Liquid 1-丁基-3-甲基咪唑鎓四氟硼酸盐离子液体中的三氟化铟 (III) 促进吡喃喹啉基丙烯酸 (PQAA) 非对映异构体的合成、光谱表征、分子对接研究和生物学评价

IF 0.8 4区化学

Letters in Organic Chemistry Pub Date : 2024-07-29 DOI: 10.2174/0115701786333234240725110033

K. venkatapathy, C. J. Magesh

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Semisynthesis and DFT Study of New Michael Adducts using (E)-Α-Atlantone, Isolated from Cedrus Atlantica Essential Oil 使用从亚特兰蒂斯雪松精油中分离出来的 (E)-Α-Atlantone 进行新型迈克尔加合物的半合成和 DFT 研究

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Letters in Organic Chemistry Pub Date : 2024-07-18 DOI: 10.2174/0115701786321643240709114001

Rida Nejjari, Maryam Bashir, Houria Raji, Bouchra Es-Sounni, Mohamed Adardour, Farhan Siddique, Mohamed Bakhouch, Abdelkrim Mouzdahir, Ahmed Benharref, Noureddine Mazoir, Samir Chtita

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N-Alkylation of Amines Utilizing Magnetic Nano Chitosan Functionalized with EDTA/Co(II) 利用 EDTA/Co(II)官能化的磁性纳米壳聚糖进行胺的 N-烷基化反应

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Letters in Organic Chemistry Pub Date : 2024-07-10 DOI: 10.2174/0115701786308650240705072830

Farzaneh Ebrahimzadeh

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Synthesis of 4-hydroxyquinoline-2(1H)-ones Based on Ag(I)-catalyzed Carbon Dioxide Fixation on 2-alknylanilines 基于 Ag(I)-catalyzed Carbon Dioxide Fixation on 2-alknylanilines 的 4-羟基喹啉-2(1H)-酮的合成

IF 0.8 4区化学

Letters in Organic Chemistry Pub Date : 2024-06-24 DOI: 10.2174/0115701786302455240603070018

Xin-Yu Lin, Guo-Jun Chen, Su-Zhe Wu, Ke-Xuan Xu, Xiao-Tian Zhang, Qi Feng

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