Synthesis, in silico ADMET prediction analysis, and pharmacological evaluation of sulfonamide derivatives tethered with pyrazole or pyridine as anti-diabetic and anti-Alzheimer's agents
Based on previous developments of our research programs in trying to find new compounds with multiple biological targets such as antioxidant, anti-diabetic, anti-Alzheimer's, and anti-arthritic agents. In the context, a novel series of sulfonamide derivatives based on the pyrazole or pyridine m...
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| Format: | Article |
| Language: | English |
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Elsevier
2024-05-01
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| Series: | Saudi Pharmaceutical Journal |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S1319016424000756 |
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| author | Nagwa M. Abdelazeem Wael M. Aboulthana Ashraf S. Hassan Abdulrahman A. Almehizia Ahmed M. Naglah Hamad M. Alkahtani |
| author_facet | Nagwa M. Abdelazeem Wael M. Aboulthana Ashraf S. Hassan Abdulrahman A. Almehizia Ahmed M. Naglah Hamad M. Alkahtani |
| author_sort | Nagwa M. Abdelazeem |
| collection | DOAJ |
| description | Based on previous developments of our research programs in trying to find new compounds with multiple biological targets such as antioxidant, anti-diabetic, anti-Alzheimer's, and anti-arthritic agents. In the context, a novel series of sulfonamide derivatives based on the pyrazole or pyridine moieties 3a, b, 7–9, 11–13, 15a, b, and 16 were synthesized from amine compounds with sulfonyl chloride derivatives. The structures of sulfonamide derivatives were elucidated via spectroscopy (1H and 13C NMR). The sulfonamide derivatives were biologically assessed in vitro for their anti-diabetic (α-amylase and α-glucosidase inhibition) and anti-Alzheimer's (acetylcholinesterase inhibition) activities. The biological results revealed that compound 15a is a powerful enzyme inhibitor for α-amylase and α-glucosidase. Also, compound 15b demonstrated inhibitor activity against the acetylcholinesterase enzyme. The structure–activity relationship study of sulfonamide derivatives was accomplished. Furthermore, complementary in silico molecular properties, drug-likeness, ADMET prediction, and surface properties of the two more powerful derivatives 15a and 15b were fulfilled and computed. These studies recommend 15a and 15b as candidates with modifications in their structures before the in vivo assays. |
| first_indexed | 2024-04-24T20:26:22Z |
| format | Article |
| id | doaj.art-dda5e90a0f9a4fcd80635c198f8b160e |
| institution | Directory Open Access Journal |
| issn | 1319-0164 |
| language | English |
| last_indexed | 2025-03-22T06:24:14Z |
| publishDate | 2024-05-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Saudi Pharmaceutical Journal |
| spelling | doaj.art-dda5e90a0f9a4fcd80635c198f8b160e2024-04-26T04:58:46ZengElsevierSaudi Pharmaceutical Journal1319-01642024-05-01325102025Synthesis, in silico ADMET prediction analysis, and pharmacological evaluation of sulfonamide derivatives tethered with pyrazole or pyridine as anti-diabetic and anti-Alzheimer's agentsNagwa M. Abdelazeem0Wael M. Aboulthana1Ashraf S. Hassan2Abdulrahman A. Almehizia3Ahmed M. Naglah4Hamad M. Alkahtani5Organometallic and Organometalloid Chemistry Department, National Research Centre, Dokki 12622, Cairo, EgyptBiochemistry Department, Biotechnology Research Institute, National Research Centre, Dokki 12622, Cairo, EgyptOrganometallic and Organometalloid Chemistry Department, National Research Centre, Dokki 12622, Cairo, Egypt; Corresponding authors.Drug Exploration and Development Chair (DEDC), Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh 11451, Saudi Arabia; Corresponding authors.Drug Exploration and Development Chair (DEDC), Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh 11451, Saudi ArabiaDepartment of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh 11451, Saudi ArabiaBased on previous developments of our research programs in trying to find new compounds with multiple biological targets such as antioxidant, anti-diabetic, anti-Alzheimer's, and anti-arthritic agents. In the context, a novel series of sulfonamide derivatives based on the pyrazole or pyridine moieties 3a, b, 7–9, 11–13, 15a, b, and 16 were synthesized from amine compounds with sulfonyl chloride derivatives. The structures of sulfonamide derivatives were elucidated via spectroscopy (1H and 13C NMR). The sulfonamide derivatives were biologically assessed in vitro for their anti-diabetic (α-amylase and α-glucosidase inhibition) and anti-Alzheimer's (acetylcholinesterase inhibition) activities. The biological results revealed that compound 15a is a powerful enzyme inhibitor for α-amylase and α-glucosidase. Also, compound 15b demonstrated inhibitor activity against the acetylcholinesterase enzyme. The structure–activity relationship study of sulfonamide derivatives was accomplished. Furthermore, complementary in silico molecular properties, drug-likeness, ADMET prediction, and surface properties of the two more powerful derivatives 15a and 15b were fulfilled and computed. These studies recommend 15a and 15b as candidates with modifications in their structures before the in vivo assays.http://www.sciencedirect.com/science/article/pii/S1319016424000756Sulfonamide derivativesPyrazole and pyridine moietiesAnti-diabetic and anti-Alzheimer's agentα-Amylase and α-glucosidase enzymesStructure–activity relationship studyComputational studies |
| spellingShingle | Nagwa M. Abdelazeem Wael M. Aboulthana Ashraf S. Hassan Abdulrahman A. Almehizia Ahmed M. Naglah Hamad M. Alkahtani Synthesis, in silico ADMET prediction analysis, and pharmacological evaluation of sulfonamide derivatives tethered with pyrazole or pyridine as anti-diabetic and anti-Alzheimer's agents Saudi Pharmaceutical Journal Sulfonamide derivatives Pyrazole and pyridine moieties Anti-diabetic and anti-Alzheimer's agent α-Amylase and α-glucosidase enzymes Structure–activity relationship study Computational studies |
| title | Synthesis, in silico ADMET prediction analysis, and pharmacological evaluation of sulfonamide derivatives tethered with pyrazole or pyridine as anti-diabetic and anti-Alzheimer's agents |
| title_full | Synthesis, in silico ADMET prediction analysis, and pharmacological evaluation of sulfonamide derivatives tethered with pyrazole or pyridine as anti-diabetic and anti-Alzheimer's agents |
| title_fullStr | Synthesis, in silico ADMET prediction analysis, and pharmacological evaluation of sulfonamide derivatives tethered with pyrazole or pyridine as anti-diabetic and anti-Alzheimer's agents |
| title_full_unstemmed | Synthesis, in silico ADMET prediction analysis, and pharmacological evaluation of sulfonamide derivatives tethered with pyrazole or pyridine as anti-diabetic and anti-Alzheimer's agents |
| title_short | Synthesis, in silico ADMET prediction analysis, and pharmacological evaluation of sulfonamide derivatives tethered with pyrazole or pyridine as anti-diabetic and anti-Alzheimer's agents |
| title_sort | synthesis in silico admet prediction analysis and pharmacological evaluation of sulfonamide derivatives tethered with pyrazole or pyridine as anti diabetic and anti alzheimer s agents |
| topic | Sulfonamide derivatives Pyrazole and pyridine moieties Anti-diabetic and anti-Alzheimer's agent α-Amylase and α-glucosidase enzymes Structure–activity relationship study Computational studies |
| url | http://www.sciencedirect.com/science/article/pii/S1319016424000756 |
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