Computational Studies Applied to Linalool and Citronellal Derivatives Against Alzheimer's and Parkinson's Disorders: A Review with Experimental Approach
Introduction:
Alzheimer's and Parkinson's are neurodegenerative disorders that affect a great number of people around the world, seriously compromising the quality of life of individuals, due to motor and cognitive damage. In these diseases, pharmacological treatment is used only to alleviate symptoms. This emphasizes the need to discover alternative molecules for use in prevention.
Objective:
Using Molecular Docking, this review aimed to evaluate the anti-Alzheimer’s and anti- Parkinson’s activity of linalool and citronellal, as well as their derivatives.
Methodology:
Before performing Molecular Docking simulations, the compounds’ pharmacokinetic characteristics were evaluated. For Molecular Docking, 7 chemical compounds derived from citron- ellal, and 10 compounds derived from linalool, and molecular targets involved in Alzheimer's and Parkinson's pathophysiology were selected.
Results:
According to the Lipinski rules, the compounds under study presented good oral absorption and bioavailability. For toxicity, some tissue irritability was observed. For Parkinson-related targets, the citronellal and linalool derived compounds revealed excellent energetic affinity for α-Synuclein, Adenosine Receptors, Monoamine Oxidase (MAO), and Dopamine D1 receptor proteins. For Alzheimer disease targets, only linalool and its derivatives presented promise against BACE enzyme activity.
Conclusion:
The compounds studied presented high probability of modulatory activity against the dis- ease targets under study, and are potential candidates for future drugs.
Топ-30
Журналы
|
1
|
|
|
International Journal of Molecular Sciences
1 публикация, 9.09%
|
|
|
Current Protein and Peptide Science
1 публикация, 9.09%
|
|
|
Journal of Trace Elements in Medicine and Biology
1 публикация, 9.09%
|
|
|
ChemMedChem
1 публикация, 9.09%
|
|
|
Heliyon
1 публикация, 9.09%
|
|
|
The Journal of Island Studies
1 публикация, 9.09%
|
|
|
BMC Complementary Medicine and Therapies
1 публикация, 9.09%
|
|
|
Neurochemistry International
1 публикация, 9.09%
|
|
|
Molecules
1 публикация, 9.09%
|
|
|
Chemistry and Biodiversity
1 публикация, 9.09%
|
|
|
Biological Trace Element Research
1 публикация, 9.09%
|
|
|
1
|
Издатели
|
1
2
3
|
|
|
Elsevier
3 публикации, 27.27%
|
|
|
MDPI
2 публикации, 18.18%
|
|
|
Wiley
2 публикации, 18.18%
|
|
|
Springer Nature
2 публикации, 18.18%
|
|
|
Bentham Science Publishers Ltd.
1 публикация, 9.09%
|
|
|
The Japan Society of Island Studies
1 публикация, 9.09%
|
|
|
1
2
3
|
- Мы не учитываем публикации, у которых нет DOI.
- Статистика публикаций обновляется еженедельно.