In-silico Screening and Synthesis of Benzo[c]Pyridazines Targeting N-Methyl D-Aspartate Glutamate Receptor for the Treatment of Seizures.
| Autor: | Shankar Mishra P; School of Medical and Allied Sciences, Galgotias University, 203201, Greater Noida, India., Mishra R; Noida Institute of Engineering and Technology (Pharmacy Institute), Greater Noida, 201306, Uttar Pradesh, India., Malik A; Department of Pharmaceutics. College of Pharmacy, King Saud University, Riyadh, 11451, Saudi Arabia., Ali Khan A; Pharmaceutical Biotechnology Laboratory, Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh, 11451, Saudi Arabia. |
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| Jazyk: | angličtina |
| Zdroj: | Chemistry & biodiversity [Chem Biodivers] 2024 Oct 04, pp. e202401638. Date of Electronic Publication: 2024 Oct 04. |
| DOI: | 10.1002/cbdv.202401638 |
| Abstrakt: | This study focuses on synthesizing novel benzopyridazine compounds with an evaluation of their anti-epileptic activity by in-silico screening and MES test. The compounds were synthesized under controlled conditions by the reaction of the substituted anilines with sodium nitrite, followed by the reaction with cyanoacetamide, substituted urea, ethanol, and water. The final compounds (5a-d; 6a-d) were tested for antiepileptic activity by in-silico screening targeting N-Methyl D-Aspartate glutamate receptor (PDB ID:5IPV). The screened compounds are also evaluated by in vivo test (MES) by taking phenytoin as a standard drug. The results of the whole study were satisfactory with the yield of the compounds in the range of 88 % to 96 %. The results of in- silico, screening showed that compounds 6a and 6c have far more binding energy compared with standard phenytoin (6a -7.5 Kcal/mol. ; 6c -7.6 Kcal/mol. and Phenytoin -6.5 Kcal/mol.). The TD (© 2024 Wiley-VHCA AG, Zurich, Switzerland.) |
| Databáze: | MEDLINE |
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