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 str...
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| Format: | Article |
| Language: | English |
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Turkish Chemical Society
2023-02-01
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| Series: | Journal of the Turkish Chemical Society, Section A: Chemistry |
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| Online Access: | https://dergipark.org.tr/en/pub/jotcsa/issue/73332/1117324 |
| _version_ | 1811161515914428416 |
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| author | Seyit Ali GÜNGÖR |
| author_facet | Seyit Ali GÜNGÖR |
| author_sort | Seyit Ali GÜNGÖR |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-04-10T06:16:42Z |
| format | Article |
| id | doaj.art-d53ea21913ff47e6a503ee9dbd0d6350 |
| institution | Directory Open Access Journal |
| issn | 2149-0120 |
| language | English |
| last_indexed | 2024-04-10T06:16:42Z |
| publishDate | 2023-02-01 |
| publisher | Turkish Chemical Society |
| record_format | Article |
| series | Journal of the Turkish Chemical Society, Section A: Chemistry |
| spelling | doaj.art-d53ea21913ff47e6a503ee9dbd0d63502023-03-02T07:14:37ZengTurkish Chemical SocietyJournal of the Turkish Chemical Society, Section A: Chemistry2149-01202023-02-011012130https://doi.org/10.18596/jotcsa.1117324 Acetylcholinesterase Inhibition Properties and Docking Studies of Compounds Based on 6-Hydrazinyl-1,3,4-Trimethyl-1H-Pyrazolo[3,4-b]Pyridine Seyit Ali GÜNGÖR0https://orcid.org/0000-0002-3233-4529 Kahramanmaraş Sütçü İmam ÜniversitesiNew 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.https://dergipark.org.tr/en/pub/jotcsa/issue/73332/1117324synthesisache inhibitiondocking |
| spellingShingle | Seyit Ali GÜNGÖR Acetylcholinesterase Inhibition Properties and Docking Studies of Compounds Based on 6-Hydrazinyl-1,3,4-Trimethyl-1H-Pyrazolo[3,4-b]Pyridine Journal of the Turkish Chemical Society, Section A: Chemistry synthesis ache inhibition docking |
| title | Acetylcholinesterase Inhibition Properties and Docking Studies of Compounds Based on 6-Hydrazinyl-1,3,4-Trimethyl-1H-Pyrazolo[3,4-b]Pyridine |
| title_full | Acetylcholinesterase Inhibition Properties and Docking Studies of Compounds Based on 6-Hydrazinyl-1,3,4-Trimethyl-1H-Pyrazolo[3,4-b]Pyridine |
| title_fullStr | Acetylcholinesterase Inhibition Properties and Docking Studies of Compounds Based on 6-Hydrazinyl-1,3,4-Trimethyl-1H-Pyrazolo[3,4-b]Pyridine |
| title_full_unstemmed | Acetylcholinesterase Inhibition Properties and Docking Studies of Compounds Based on 6-Hydrazinyl-1,3,4-Trimethyl-1H-Pyrazolo[3,4-b]Pyridine |
| title_short | Acetylcholinesterase Inhibition Properties and Docking Studies of Compounds Based on 6-Hydrazinyl-1,3,4-Trimethyl-1H-Pyrazolo[3,4-b]Pyridine |
| title_sort | acetylcholinesterase inhibition properties and docking studies of compounds based on 6 hydrazinyl 1 3 4 trimethyl 1h pyrazolo 3 4 b pyridine |
| topic | synthesis ache inhibition docking |
| url | https://dergipark.org.tr/en/pub/jotcsa/issue/73332/1117324 |
| work_keys_str_mv | AT seyitaligungor acetylcholinesteraseinhibitionpropertiesanddockingstudiesofcompoundsbasedon6hydrazinyl134trimethyl1hpyrazolo34bpyridine |