Computational chemistry only gained international recognition after making a significant contribution to the scientific advances that resulted in Nobel prizes. With the technological evolution of the last decades, software was created with the aim of studying, investigating and understanding chemical processes at the molecular level of experimental studies. This promoted research agility and reduced costs with ...
Brazil has a prevalence of 1.3% disabled people. Regarding the physical impairments related to neurological pathologies, they generate functional disability worldwide. Thus, this work aimed to carry out scientific and technological research on research on the use of focal vibration associated with wearable mobile devices in individuals with motor impairments resulting from neurological pathologies. In the searc...
Cadmium is a toxic metal from 12th group and 5th period of the periodic table. It’s common its use in batteries manufacturing and metal alloys production. It is absorbed by the organism of animals and plants causing risks to human health by bioaccumulation. Even with proven levels of toxicity, complexes involving this atom have biological activity according to several studies. As a study methodology, data were ...
Chemotherapy is one of the main oncological treatments, in which it has several side effects, including mucositis. Rutin belongs to the class of flavonoids and has clinically relevant functions, potentially beneficial in preventing diseases and antioxidant activity. Therefore, the objective of this study was to carry out scientific and technological monitoring of the pharmacological properties of rutin and its ...
A quimioterapia é um dos principais tratamentos oncológicos, no qual acarreta diversos efeitos colaterais, dentre os quais têm-se a mucosite. A rutina pertence à classe dos flavonoides e apresenta clinicamente funções relevantes, potencialmente benéficas na prevenção de doenças e atividade antioxidante. Portanto, objetivou-se com esse estudo, realizar um monitoramento científico e tecnológico acerca das proprie...
O cádmio é um metal tóxico do 12º grupo e 5º período da tabela periódica. É comum seu uso na fabricação de baterias e produção de ligas metálicas. É absorvido pelo organismo de animais e plantas causando riscos à saúde humana por bioacumulação. Mesmo com níveis comprovados de toxicidade, complexos envolvendo esse átomo apresentam atividade biológica de acordo com diversos estudos. Como metodologia de estudo, fo...
Intestinal mucositis, characterized by inflammatory and/or ulcerative processes in the gastrointestinal tract, occurs due to cellular and tissue damage following treatment with 5-fluorouracil (5-FU). Rutin (RUT), a natural flavonoid extracted from Dimorphandra gardneriana, exhibits antioxidant, anti-inflammatory, cytoprotective, and gastroprotective properties. However, the effect of RUT on inflammatory process...
A series of drugs was investigated to determine structural, electronic and pharmacological properties, as well as the molecular affinity for the main protease of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). The drugs were submitted to density functional theory calculations to optimize structures and predict binding preferences. The optimized geometries were used in molecular docking simulations...
Leishmaniasis is an infectious disease that affects both animals and humans, caused by flagellated parasites belonging to the genus Leishmania. The disease is estimated to reach about 700,000 to 1 million people, causing the deaths of 20 to 30,000 individuals annually. Thus, the present study aims to perform molecular docking tests and evaluation of antileishmania activity in vitro of a ruthenium complex with e...
SARS-CoV-2 belongs to the Coronaviridae family and of the order Nidovirales, which has positive non-segmented RNA, of the enveloped type that causes a severe acute respiratory syndrome in humans, which has already infected more than 9 million people worldwide, leading to 496,075 deaths by June 27, 2020, making the search for alternative treatment for this pathogen urgent. Thus, this study aimed to conduct a bib...