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  Published Paper Details:

  Paper Title

IDENTIFYING POTENTIAL BACE-1 ENZYME INHIBITORS /LEAD SMALL MOLECULES: RELEVANCE TO ALZHEIMER�S DISEASES

  Authors

  Deepak.G,  Dr. A. Dinakara Rao,  Mohammad Babu Khan

  Keywords

Bace-1 Enzyme, ZINC Subset, Beta-Amyloid peptide, Docking, Molecular Dynamic simulation.

  Abstract


It is unclear what causes Alzheimer's disease. However, genetic data support the amyloid hypothesis, which states that abnormal beta-amyloid protein aggregation initiates the illness process. There is a lengthy pre-clinical stage of Alzheimer's disease. The terrible consequences of amyloidogenic diseases like Alzheimer's. More than 7000 tiny molecules have been screened from ZINC subsets and exposed to 165 compounds and 16. From a research perspective, I have examined numerous databases like the ZINC Subset, Pubchem compound database, and Drug bank database. For docking investigations, these processed molecules were employed. The docking study enabled us to locate a small number of compounds with good inhibitory interactions with the protein, i.e., chemicals that impede the protein's function. These final compounds underwent drug-likeness testing and methods for ADME descriptor validation. These substances or molecules may help develop potent medications to treat Alzheimer's. To determine which protein had the lowest energy conformation and was, therefore, the most stable, a molecular dynamic of the protein was run.

  IJCRT's Publication Details

  Unique Identification Number - IJCRT2210418

  Paper ID - 226842

  Page Number(s) - d586-d617

  Pubished in - Volume 10 | Issue 10 | October 2022

  DOI (Digital Object Identifier) -   

  Publisher Name - IJCRT | www.ijcrt.org | ISSN : 2320-2882

  E-ISSN Number - 2320-2882

  Cite this article

  Deepak.G,  Dr. A. Dinakara Rao,  Mohammad Babu Khan,   "IDENTIFYING POTENTIAL BACE-1 ENZYME INHIBITORS /LEAD SMALL MOLECULES: RELEVANCE TO ALZHEIMER�S DISEASES", International Journal of Creative Research Thoughts (IJCRT), ISSN:2320-2882, Volume.10, Issue 10, pp.d586-d617, October 2022, Available at :http://www.ijcrt.org/papers/IJCRT2210418.pdf

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ISSN: 2320-2882
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Journal Starting Year (ESTD) : 2013
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ISSN and 7.97 Impact Factor Details


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ISSN: 2320-2882
Impact Factor: 7.97 and ISSN APPROVED
Journal Starting Year (ESTD) : 2013
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