Planejamento e estudo in silico de derivados de 6-gingerol como inibidores de acetilcolinesterase comparados a donepezila
Article Sidebar
Main Article Content
Abstract
Alzheimer's disease (AD) is currently one of the most studied dementias due to the increase of cases over the years. Acetylcholinesterase (AChE) inhibitors have been widely studied to obtain new drug candidates to combat AD. In this sense, new derivatives of the natural product 6-gingerol were planned and analyzed against the inhibition of the acetylcholinesterase enzyme in silico and its prediction on the Absorption, Distribution, Metabolism, Elimination and Toxicity (ADMET) model. Using molecular modeling tools to minimize the structures of the studied compounds and then verify the interactions of these derivatives in comparison with the standard donepezyl, due to its structural similarity, with the AChE enzyme. The results showed that two compounds have the best in silico interactions and the best ADMET properties for a good drug that can act on the Central Nervous System.
Downloads
Article Details
This work is licensed under a Creative Commons Attribution 4.0 International License.
• The author (s) warrant that the contribution is original and unpublished and that it is not in the process of being evaluated in other journal (s);
• The journal is not responsible for the opinions, ideas and concepts issued in the texts, as they are the sole responsibility of the author (s);
• Publishers have the right to make textual adjustments and to adapt the article to the rules of publication.
Authors retain the copyright and grant the journal the right of first publication, with the work simultaneously licensed under the Creative Commons Attribution License, which allows the sharing of work with acknowledgment of authorship and initial publication in this journal.
Authors are authorized to take additional contracts separately, for non-exclusive distribution of the version of the work published in this journal (eg publish in institutional repository or as book chapter), with acknowledgment of authorship and initial publication in this journal.
Authors are allowed and encouraged to publish and distribute their work online (eg in institutional repositories or on their personal page) at any point before or during the editorial process, as this can generate productive changes as well as increase the impact and citation of the published work (See The Effect of Free Access) at http://opcit.eprints.org/oacitation-biblio.html
