التفاصيل البيبلوغرافية
| العنوان: |
Molecular docking of fisetin as a multi-target drug in the treatment of Parkinson's disease. |
| المؤلفون: |
Rajendran, Malathi, Prashanthi, K., Karthikeyan, J. |
| المصدر: |
Journal of Drug Delivery & Therapeutics; 2019 Supplement, p1-4, 4p |
| مصطلحات موضوعية: |
PARKINSON'S disease treatment, MOLECULAR docking, PARKINSON'S disease, TYROSINE hydroxylase, MOLECULAR structure |
| مستخلص: |
Fisetin is found in various fruits and vegetables. It is reported to have neurotropic, anti-inflammatory, anti-carcinogenic and also other health benefits. Fisetin has been proved to have neuroprotective effect against Parkinson's disease (PD). Elucidation of the molecular interaction of fisetin with various anti-parkinsonian drug targets leads to better understanding mode of action of the drug. The present study is aimed to study the molecular interaction of fisetin with molecular targets having potential role in PD. The molecular properties and drug likeness model score were first analysed for flavonoid fisetin, which was found to be 0.76. The structures of the molecular drug targets, such as MAO A (2BXR), MAO B (2BYB), COMT (2AVD) and tyrosine hydroxylase (2XSN), was extracted from RCSB-Protein Data Bank. Molecular docking was performed using AUTO DOCK-4.2. The docking scores were evaluated by analyzing the minimum binding energy for the first five runs for all the target proteins. The minimum binding energy for MAO A (2BXR), MAO B (2BYB), COMT (2AVD), tyrosine hydroxylase (2XSN) were -10.22 kcal/mol, -9.68 kcal/mol, -7.45 kcal/mol and -6.67 kcal/mol respectively. Out of the 4 potential PD drug targets, MAO A and MAO, genes responsible for oxidative deamination of dopamine, are predicted to have the least minimum binding energy and best interaction with fisetin. [ABSTRACT FROM AUTHOR] |
|
Copyright of Journal of Drug Delivery & Therapeutics is the property of Journal of Drug Delivery & Therapeutics and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) |
| قاعدة البيانات: |
Complementary Index |
Full Text Finder