Sarani, Fariba (2020) Theoretical study of inhibitory ability of some acridine derivatives against cholinesterase enzymes for treatment of Alzheimer’s disease. Masters thesis, university of zabol.
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Theoretical study of inhibitory ability of some acridine derivatives against cholinesterase enzymes for treatment of Alzheimer’s disease.pdf Download (151kB) | Preview |
Abstract
Tacrine is one of the first known inhibitors of cholinesterase enzymes. This drug including three rings that central ring is para-substituted pyridine one. It seems that changing electronic properties of side ring lead to change of overall electronic properties and influences on inhibitory strength of it. Also, it is expected that this method can optimize some of properties of drug and control side effects of it. In this research, initial structures of some acridines are optimized using quantum mechanical computations and then molecular docking studies are performed for investigating role of different substituents on inhibitory strength of them against cholinesterase enzymes. In addition, effects of different factors such as charge transfer, electron charge densities, nucleophilicity, electrophilicity, and etc. on inhibitory strength of them are evaluated.
| Item Type: | Thesis (Masters) |
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| Uncontrolled Keywords: | Acridine, Molecular docking, Cholinesterase, Inhibitor |
| Subjects: | Q Science > QD Chemistry |
| Depositing User: | Mrs najmeh khajeh |
| Date Deposited: | 25 Nov 2023 09:57 |
| Last Modified: | 25 Nov 2023 09:57 |
| URI: | http://eprints.uoz.ac.ir/id/eprint/3448 |
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