{"title":"6-肼基-1,3,4-三甲基- 1h -吡唑啉[3,4-b]吡啶类化合物乙酰胆碱酯酶抑制性能及对接研究","authors":"S. A. Güngör","doi":"10.18596/jotcsa.1117324","DOIUrl":null,"url":null,"abstract":"New compounds based on 6-hydrazinyl-1,3,4-trimethyl-1H-pyrazolo[3,4-b]pyridine (3a and 3b) were synthesized and characterized by FTIR and 1H/13C NMR spectroscopic methods and their in vitro acetylcholinesterase (AChE) inhibition studies were evaluated. Compound 3b (IC50 value 104.4 µM) exhibited stronger AChE inhibitory activity than the reference galantamine compound (IC50 value 139.4 µM). Molecular docking studies were performed to determine the key interactions and possible binding modes between AChE of compounds. The most active one, 3b, showed a binding affinity of -10.28 kcal/mol.","PeriodicalId":17299,"journal":{"name":"Journal of the Turkish Chemical Society Section A: Chemistry","volume":"20 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2023-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Acetylcholinesterase Inhibition Properties and Docking Studies of Compounds Based on 6-Hydrazinyl-1,3,4-Trimethyl-1H-Pyrazolo[3,4-b]Pyridine\",\"authors\":\"S. A. Güngör\",\"doi\":\"10.18596/jotcsa.1117324\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"New compounds based on 6-hydrazinyl-1,3,4-trimethyl-1H-pyrazolo[3,4-b]pyridine (3a and 3b) were synthesized and characterized by FTIR and 1H/13C NMR spectroscopic methods and their in vitro acetylcholinesterase (AChE) inhibition studies were evaluated. Compound 3b (IC50 value 104.4 µM) exhibited stronger AChE inhibitory activity than the reference galantamine compound (IC50 value 139.4 µM). Molecular docking studies were performed to determine the key interactions and possible binding modes between AChE of compounds. The most active one, 3b, showed a binding affinity of -10.28 kcal/mol.\",\"PeriodicalId\":17299,\"journal\":{\"name\":\"Journal of the Turkish Chemical Society Section A: Chemistry\",\"volume\":\"20 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-02-28\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of the Turkish Chemical Society Section A: Chemistry\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.18596/jotcsa.1117324\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of the Turkish Chemical Society Section A: Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.18596/jotcsa.1117324","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Acetylcholinesterase Inhibition Properties and Docking Studies of Compounds Based on 6-Hydrazinyl-1,3,4-Trimethyl-1H-Pyrazolo[3,4-b]Pyridine
New compounds based on 6-hydrazinyl-1,3,4-trimethyl-1H-pyrazolo[3,4-b]pyridine (3a and 3b) were synthesized and characterized by FTIR and 1H/13C NMR spectroscopic methods and their in vitro acetylcholinesterase (AChE) inhibition studies were evaluated. Compound 3b (IC50 value 104.4 µM) exhibited stronger AChE inhibitory activity than the reference galantamine compound (IC50 value 139.4 µM). Molecular docking studies were performed to determine the key interactions and possible binding modes between AChE of compounds. The most active one, 3b, showed a binding affinity of -10.28 kcal/mol.
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