In Silico and Experimental Studies of Bioactive Compounds with Therapeutic Potential for the Treatment of Alzheimer's Disease

• Grant number: 24/01071-3
• Support Opportunities: Scholarships in Brazil - Post-Doctoral
• Start date: June 01, 2024
• End date: May 31, 2026
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Physical-Chemistry
• Principal Investigator: Paula Homem-de-Mello
• Grantee: Alexandre Alves de Castro
• Host Institution: Centro de Ciências Naturais e Humanas (CCNH). Universidade Federal do ABC (UFABC). Ministério da Educação (Brasil). Santo André , SP, Brazil

Abstract

Alzheimer's disease (AD) can be described as a progressive neurodegenerative disorder. This condition has reached alarming epidemic proportions due to the aging global population. Worldwide, about 50 million people suffer from dementia, and the forecast is that this number will more than triple by 2050 as the population ages. Dementia affects millions of people globally, with the majority of cases being attributed to AD. There is an immediate need to find new interventions and therapies capable of modifying the course of the disease. Various entities, such as academic laboratories and pharmaceutical companies, are searching for new targets to identify and optimize therapeutic agents, conducting clinical trials in an attempt to develop new treatment methods for AD. The challenge or difficulty in advancing AD treatment lies in finding new drugs that are effective and have reduced side effects. This project aims to develop therapeutic options that can bring significant benefits and aid in the treatment, allowing for the reduction or even reversal of the disease progression. Given the multifactorial nature of the disease, this project also aims to explore multi-target therapeutic approaches. Thus, we will identify common structural features among molecules that act on different receptors. Through this project, computational methods will be applied to discover new bioactive molecules using large databases and the application of various pharmacological and toxicity filters. Established methods of computational chemistry will also be systematically used in the study of metabolism and nanotechnology, which, together with experimental studies, may lead to efficient therapeutic options for AD treatment.

Scientific publications

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

DE CASTRO, ALEXANDRE A.; SILVA, HENRIQUE F.; GARCIA, MARIA V. F. P.; DE-MELLO, PAULA HOMEM; RAMALHO, TEODORICO C.. Molecular Modeling Insights on the Pharmaceuticals and Hypotheses of Alzheimer's Disease. Current Medicinal Chemistry, v. N/A, p. 28-pg., 2024-09-05. (24/01071-3)