4 documents found, page 1 of 1
Python-based QSAR modeling protocol for antioxidant activity: a case-study usin...
Abreu, Rui M.V.; Mateus, CristianoConstructing a QSAR model involves several critical steps, including chemical structure preparation, molecular descriptor calculation and selection, and model development and validation. This study presents a comprehensive methodology for preparing QSAR models using freely open-source software tools. A detailed, stepby- step protocol outlines the entire process, from compound library preparation to statistical ...
Exploring acorn shells: Phenolic composition and bioactive potential for sustai...
Mateus, Cristiano; Alonso-Esteban, José Ignacio; Finimundy, Tiane C.; Mandim, Filipa; Oliveira, Izamara; Babo, Pedro; Ferreira, Isabel C.F.R.Pedunculate (Quercus robur L.), holm (Quercus rotundifolia Lam.), and cork (Quercus suber L.) oaks are abundant across the Portuguese landscape. This study aims to evaluate the phenolic composition and bioactivities of acorn shell samples and determine their potential as a functional compound source. In total, five acorn shell samples collected in different locations and from different species were analyzed: Q....
Effects of different treatments on the phenolic composition of acorn extracts f...
Alonso-Esteban, José Ignacio; Mateus, Cristiano; Finimundy, Tiane C.; Rodrigues, Daniele Bobrowski; Babo, Pedro; Canadas, Raphael; Barros, LillianThe European oak (Quercus robur L.) and the holm oak (Quercus rotundifolia Lam.) are two examples of endemic species that already contribute for the socio-economic development of the Iberian Peninsula. The first one stands out because of its wood, and the second one has been traditionally managed as savannah-like ecosystems for livestock breeding [1]. However, from a chemical perspective, the potential of these...
QSAR modeling studies of a library of Human Tyrosinase inhibitors
Mateus, CristianoMelanogenesis is the chemical process responsible for synthesizing melanin, which occurs in melanocytes, in subcellular lysosome-like organelles called melanosomes. Melanin plays a vital role in protecting the skin from damage caused by ultraviolet rays. However, excess melanin production or abnormal distribution can cause various pigmentation disorders, such as over-tanning, age spots, and melasma. Skin disord...