Synthesis and Multi-Target Inhibition of Bis-Schiff Bases of Barbituric Acid: in Vitro α-glucosidase, α-amylase Inhibitory Activities With Docking and DFT Studies
文献类型：期刊论文
| 作者 | Zahir, Mahnoor1; Alam, Aftab2; Jan, Faheem3,4; Khan, Ajmal5; Alasmari, Abdullah F.6; Alasmari, Fawaz6; Khan, Momin1; Al-Harrasi, Ahmed5 |
| 刊名 | CHEMISTRYSELECT
 |
| 出版日期 | 2025 |
| 卷号 | 10期号:1页码:16 |
| 关键词 | Anti-diabetic Alpha-amylase inhibitions Alpha-glucosidase Barbituric acid Molecular docking and dft Spectroscopy |
| ISSN号 | 2365-6549 |
| DOI | 10.1002/slct.202401914 |
| 通讯作者 | Jan, Faheem(faheem19b@imr.ac.cn) ; Khan, Momin(mominkhan@awkum.edu.pk) ; Al-Harrasi, Ahmed(aharrasi@unizwa.edu.om) |
| 英文摘要 | The current research is based on the synthesis of some novel bis-Schiff bases bearing barbituric acid moiety followed by characterization through modern spectroscopic techniques and their in vitro inhibitory effects against the enzymes alpha-glucosidase and alpha-amylase were subsequently investigated. In the series, four compounds 8 (IC50 = 5.62 +/- 0.18 and 3.12 +/- 0.13 mu M), 10 (IC50 = 7.13 +/- 1.03 and 8.19 +/- 1.11 mu M), 9 (IC50 = 12.81 +/- 1.92 and 12.11 +/- 1.32 mu M), and 11 (IC50 = 15.07 +/- 0.38 and 16.01 +/- 0.28 mu M) attributed notable dual inhibition against alpha-glucosidase and alpha-amylase enzymes better than the standard acarbose drug (IC50 = 16.16 +/- 0.15 and 16.65 +/- 0.17 mu M). The molecular docking study was performed to explored the binding affinities and key interactions of synthesized compounds with targeted proteins (alpha-amylase and alpha-glucosidase). Furthermore, the stability of all the compounds were verified by density functional theory (DFT) method at B3LYP/6-311++G(d,p). For the account of intramolecular interaction, DFT-D3 and reduced density gradient (RDG) methods were utilized. In addition, utilising the CAM-B3LYP functional with 6-311++G(d,p), the TD-DFT approach was used to examine different reactivity circumstances. |
| 资助项目 | King Saud University[RSP2025R235] ; King Saud University, Riyadh, Saudi Arabia |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:001386251100001 |
| 出版者 | WILEY-V C H VERLAG GMBH |
| 资助机构 | King Saud University ; King Saud University, Riyadh, Saudi Arabia |
| 源URL |  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Jan, Faheem; Khan, Momin; Al-Harrasi, Ahmed |
| 作者单位 | 1.Abdul Wali Khan Univ, Dept Chem, Mardan 23200, Pakistan 2.Univ Malakand, Dept Chem, POB 18800, Dir Lower, Khyber Pakhtunk, Pakistan 3.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China 4.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Liaoning, Peoples R China 5.Univ Nizwa, Nat & Med Sci Res Ctr, POB 33, Nizwa 616, Oman 6.King Saud Univ, Coll Pharm, Dept Pharmacol & Toxicol, Riyadh 11451, Saudi Arabia |
| 推荐引用方式 GB/T 7714 | Zahir, Mahnoor,Alam, Aftab,Jan, Faheem,et al. Synthesis and Multi-Target Inhibition of Bis-Schiff Bases of Barbituric Acid: in Vitro α-glucosidase, α-amylase Inhibitory Activities With Docking and DFT Studies[J]. CHEMISTRYSELECT,2025,10(1):16. |
| APA | Zahir, Mahnoor.,Alam, Aftab.,Jan, Faheem.,Khan, Ajmal.,Alasmari, Abdullah F..,...&Al-Harrasi, Ahmed.(2025).Synthesis and Multi-Target Inhibition of Bis-Schiff Bases of Barbituric Acid: in Vitro α-glucosidase, α-amylase Inhibitory Activities With Docking and DFT Studies.CHEMISTRYSELECT,10(1),16. |
| MLA | Zahir, Mahnoor,et al."Synthesis and Multi-Target Inhibition of Bis-Schiff Bases of Barbituric Acid: in Vitro α-glucosidase, α-amylase Inhibitory Activities With Docking and DFT Studies".CHEMISTRYSELECT 10.1(2025):16. |
入库方式： OAI收割
来源：金属研究所
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