Study, Docking, In Silico ADME and Bio-Evaluation of Novel Hetero-Aromatic Amino Acid Derivatives as Potential Anti-Epileptic Agents | ||||
| Egyptian Journal of Chemistry | ||||
| Volume 67, Issue 4, April 2024, Page 193-206 PDF (1.45 MB) | ||||
| Document Type: Original Article | ||||
| DOI: 10.21608/ejchem.2023.232868.8534 | ||||
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| Authors | ||||
Faez F Alshehri1; Zafer S Alshehri1; sharif Alhjlah1; nagwan M Salama2; Zahra M Alamshany3; Mohammed F Arshad4; Ahmed F Elkirdasye5; Allam A. Hassan  6
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| 1Department of Medical Laboratories, College of Applied Medical Sciences, Shaqra University, Shaqra 11961, Saudi Arabia | ||||
| 2Department of Medical Pharmacology, Faculty of Medicine, Cairo University, Egypt. | ||||
| 3Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah 21551, Saudi Arabia | ||||
| 4Department of Research and Scientific Communications, Isthmus Research and Publishing House, U-13, Near Badi Masjid, Pulpehlad Pur, New Delhi 110044, India | ||||
| 5Departmentof Biochemistry and Chemistry of Nutrition, Faculty of Veterinary Medicine, University of Sadat City, Sadat City, 32897, Egypt. | ||||
| 6Department of Chemistry, Faculty of Science, Suez University, Suez 43221, Egypt | ||||
| Abstract | ||||
| A series of 1-(3-(1H-indol-3-yl)-1-(naphthalen-2-yl)allyl)-1,4-dihydroquinoline-4-carboxylic acid analogues (Va-j) were prepared, then tested for anticonvulsant efficacy. The analogues were tested using "gold standard procedures," which showed notable activity, particularly in chemically induced seizures. In the MES model and the scPTZ model, compounds Vf, Ve, Vg, and Vc were identified to be the most potent of the series. In order to assess motor damage, all synthetic analogues were also tested for acute neurotoxicity using the rotarod method. For the most part, all synthetic counterparts passed the test. The research also offers ADME predictions for all 10 congeners produced and carefully analysed each parameter. Additionally, the GABA-A target protein was used in research on molecular docking. The results of molecular docking revealed significant interactions at the active site of GABA-A with Val B:199, Arg A:180, Phen B:200, Ala B:201 and Lys A:173, and the outcomes were good and in agreement with in vivo findings. The compounds with EDG at position 6 or unsubstituted analogues were found to be most active where as those with electron donating group have less activity. New anticonvulsant medications may be created as a result of more research on these substances. | ||||
| Keywords | ||||
| Anticonvulsant activity; GABA-A; Indole; Molecular Docking; Quinoline | ||||
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