Computational evaluation, optimization and molecular docking (in silico) of bioactive substances in aging-related enzymes (Collagenase, Elastase and Tyrosinase).

• Grant number: 23/07360-4
• Support Opportunities: Scholarships in Brazil - Scientific Initiation
• Start date: September 01, 2023
• End date: August 31, 2024
• Field of knowledge: Biological Sciences - Biology
• Principal Investigator: Regildo Márcio Gonçalves da Silva
• Grantee: Hugo Henrique Santos
• Host Institution: Faculdade de Ciências e Letras (FCL-ASSIS). Universidade Estadual Paulista (UNESP). Campus de Assis. Assis , SP, Brazil

Abstract

In recent years numerous scientific studies have demonstrated and proven the application and use of computational molecular docking in the investigation of natural products and bioactives, candidates to be employed in treatments and prevention of different diseases, especially chronic and/or degenerative diseases, such as cardiovascular diseases, cancers, diabetes, sclerosis, Alzheimer's, Parkinson's and more recently in severe acute respiratory syndrome (SARS). These diseases can arise and/or be aggravated by the aging process, especially when premature aging occurs. Thus, the investigation and discovery of active compounds that inhibit premature aging and/or decelerate aging has been gaining prominence in scientific studies. Therefore, the present project aims to develop an in silico study method by molecular docking technique for the prediction and analysis of natural compounds with activity on premature aging enzymes, evaluating the molecular interactions of these compounds with collagenase, elastase and tyrosinase enzymes, besides the molecular interaction with DNA.