Dados do Resumo

Título

In Silico Study of the Anticancer Activity of Lupeol Present in Bacuri

Introdução

Bacuri fruits are part of the diversity of sociobiodiversity production, with Pará being a leading producer. The substances present in this fruit have applications in the industry as cosmetics, pharmaceuticals, and food products. These substances show potential in the research of therapeutic compounds, especially for anticancer treatment, promoting a sustainable approach and valuing Amazonian biodiversity, given that cancer is one of the leading causes of global mortality.

Objetivo

This research aims to investigate in silico the anticancer potential by exploring the therapeutic properties of the substance Lupeol present in Bacuri.

Métodos

The data on molecular structure, molecular mass, polarity, and CAS number for the substance Lupeol were obtained through consultations with the PubChem® (https://pubchem.ncbi.nlm.nih.gov) and ChemSpider (http://www.chemspider.com/) databases for the in silico study. For the analysis of the pharmacological properties of the substances, the software Prediction of Activity Spectra for Substances (PASS) was used, which estimates the potential activity of a substance in terms of the probability of being active (Pa) and the probability of being inactive (Pi).

Resultados

Lupeol revealed a probability that the molecules were similar to drugs with 9 activities related to anticancer effects, such as: antineoplastic (Pa: 0.950 and Pi: 0.004), apoptosis agonist (Pa: 0.883 and Pi: 0.005), Caspase 8 stimulant (Pa: 0.865 and Pi: 0.001), Caspase 3 stimulant (Pa: 0.978 and Pi: 0.002), NF kappa B transcription factor stimulant (Pa: 0.947 and Pi: 0.001), transcription factor stimulant (Pa: 0.947 and Pi: 0.001), chemopreventive (Pa: 0.792 and Pi: 0.004), Myc inhibitor (Pa: 0.725 and Pi: 0.002), anti-inflammatory (Pa: 0.708 and Pi: 0.015), with Pa and Pi varying on a scale from 0 to 1.

Conclusões

The in silico study with Lupeol present in Bacuri revealed therapeutic potential, demonstrating several promising biological activities for anticancer activity and highlighting the importance of Amazonian biodiversity in sustainable approaches for the research of new drugs.

Financiador do resumo

Centro Universitário da Amazônia (UNIESAMAZ)

Palavras Chave

Bacuri; Atividade anticâncer; Lupeol