Asbat, Ayesha and Saleem, Farooq and Najm, Saima and Iqbal, Javed and Syed, Muhammad Ali and Ahmad, Sarfraz and Hanif, Sana and Azeem, Muhammad (2022) Synthesis, characterization, computational, anticancer and anti-inflammatory studies of pregabalin esters and their complexes with heavy metals. Journal of Molecular Structure, 1264. ISSN 0022-2860, DOI https://doi.org/10.1016/j.molstruc.2022.133234.
Full text not available from this repository.Abstract
The current study entails a series of pregabalin ester complexed with zinc and copper; further characterized by spectroscopic techniques and biological assays. Docking analysis revealed three complexes with favorable binding interactions which were further subjected to in-vitro anti-inflammatory and anticancer activities. The complex-5 displayed most potent anti-inflammatory activity against Luminol-enhanced Chemiluminescence assay with IC50 value of 7.7 +/- 0.8 mu M as compared to standard Ibuprofen with IC50 value of 11.2 +/- 1.9 mu M; whereas none of them showed significant outcomes against HeLa cell lines for antiproliferative activity as compared with standard doxorubicin. Computational studies were carried out using the reported crystal structure of multidrug resistant Alpha2S protein (PDB-ID: 6ND9), neurokinin1 receptor (PDB-ID: 2KSA) and dihydrofolate reductase (PDB-ID: 3GHW); indicating the compound 3 showed significant interactions at all receptors. As the analogues were more active than parent drug in some respects; therefore, the expansion of the project can be planned to carry out more pharmacological screening.(c) 2022 Elsevier B.V. All rights reserved.
| Item Type: | Article |
|---|---|
| Funders: | None |
| Uncontrolled Keywords: | Pregabalin; Esters; Auto dock; Luminol; Antitumor; Anti-inflammatory |
| Subjects: | Q Science > QD Chemistry |
| Divisions: | Faculty of Science > Department of Chemistry |
| Depositing User: | Ms. Juhaida Abd Rahim |
| Date Deposited: | 13 Oct 2023 07:39 |
| Last Modified: | 13 Oct 2023 07:39 |
| URI: | http://eprints.um.edu.my/id/eprint/42174 |
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