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ABSTRACT
| Title |
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INSILCO STUDIES ON ASTAXANTHIN DERIVATIVES AGAINST TAU PROTEIN- A NOVEL APPROACH TO DESIGN ANTI-ALZHEIMERS DRUG TARGETS |
| Authors |
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Kukkarasapalli Praveen, Kuna Yellamma |
| Keywords |
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Alzheimers Disease, Tau protein, Auto Dock Vina, Astaxanthin Derivatives etc. |
| Issue Date |
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Oct 2017 |
| Abstract |
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Alzheimer’s disease, an irreversible, progressive brain disorder eventually causes neuronal death and thus finally culminating in loss of intellectual and cognitive abilities. Neurodegenerative diseases (NDDs) are traditionally defined as disorders with selective loss of neurons and distinct involvement of functional systems defining clinical presentation. However, the pathophysiology of these diseases have not been fully elucidated and effective treatments are still lacking. The tau proteins, like CDK5 and GSK3ß kinases have a significant role in the abnormal hyperphosphorylation of MAPT (Membrane Associated Protein Tau) which causes Alzheimer’s disease. In healthy condition, the Tau protein has the ability to bind and neutralize the internal ladder-like microtubule skeleton structure. In diseased condition the ladder-like microtubules are collapsed due to irregular hyperphosphorylation of tau and formation of Neuro Fibrillary Tangle deposits inside the brain, which subsequently results malfunctions in communication between nerve cells and finally neuronal death. In this revision we employed computational method to study the molecular interaction of Tau protein with algal derivatives of Astaxanthin and its analogues. The active pocket binding site Amino acids residues were predicted through CAST-p server and docking analysis was performed by using Auto Dock Vina tool. The 1300 Astaxanthin drug derivatives were downloaded from ZINC database as targets. Among all these, the compound ZINC 05281539 showed high binding energy interaction value i.e.-11.0Kcal/mol and showed tightly coiled protein ligand interaction on protein surface area. These results may be useful to develop the best anti-Alzheimers drug candidate. However, further investigations on the above compound are necessary to develop potential chemical entities for prevention and treatment of Alzheimer’s disease. |
| Page(s) |
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226-231 |
| ISSN |
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0975-9492 |
| Source |
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Vol. 8, No.11 |
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