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| Author(s): |
Jonathan Resende de Almeida
Total Authors: 1
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| Document type: | Master's Dissertation |
| Press: | Ribeirão Preto. |
| Institution: | Universidade de São Paulo (USP). Faculdade de Ciências Farmacêuticas de Ribeirão Preto (PCARP/BC) |
| Defense date: | 2011-03-10 |
| Examining board members: |
Carlos Henrique Tomich de Paula da Silva;
Silvana Giuliatti;
Carlota de Oliveira Rangel Yagui
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| Advisor: | Carlos Henrique Tomich de Paula da Silva |
| Abstract | |
Alzheimer\'s disease is the leading cause of dementia in the elderly. The progression of symptoms is associated with structural changes in cholinergic synapses in specific brain regions and consequentely to decrease the potential of cholinergic neurotransmission. Thus, the increased capacity of cholinergic neurotransmission is the fundamental mechanism of the drugs used to treat Alzheimer\'s disease. Currently, the only effective clinical treatment for Alzheimer\'s (MA) is the use of inhibitors of acetylcholinesterase (AChE). Cholinesterase inhibitors are the most promising drugs developed so far, it is the only therapeutic class that showed improvement in cognitive symptoms of MA. For this project, we used different techniques of molecular modeling as a strategy for rational design of drugs based on inhibitors of acetylcholinesterase (AChE) in the literature than those which have structures deposited in the PDB, including some that have already been used in the treatment Alzheimer\'s disease.The objective was to design and test new potential inhibitors of therapeutic target in attempts to obtain and optimize future new prototypes as future drug candidates in Alzheimer\'s disease. The goals extend to proposals from potential new prototypes, selected from databases of commercial compounds containing properties of drugs. The virtual screenings were trends to structures of the inhibitors already reported in the literature as well as the pharmacophoric pattern common to them, to be modeled. (AU) | |
| FAPESP's process: | 08/07248-0 - Molecular modeling and structure-activity relationships of acetylcholinesterase and inhibitors in Alzheimer's Disease |
| Grantee: | Jonathan Resende de Almeida |
| Support Opportunities: | Scholarships in Brazil - Master |