Thiago Aquino

Thiago Aquino
Federal University of Alagoas · Institute of Chemistry and Biotechnology (IQB)

PhD

About

131
Publications
43,207
Reads
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1,945
Citations
Additional affiliations
October 2012 - present
Federal University of Alagoas
Position
  • Researcher

Publications

Publications (131)
Article
Full-text available
Staphylococcus aureus is a bacterium responsible for resistance to multiple drugs and the efflux system is widely studied among the resistance mechanisms developed by this species. The present study evaluates the inhibition of the MepA efflux pump by thiadiazine-derived compounds. For this purpose, thiadiazine-derived compounds (IJ-14 to IJ-20) wer...
Article
Full-text available
Urea is the most widely used nitrogen fertilizer worldwide. However, ammonia volatilization, resulting from applying urea to the soil surface, causes economic and environmental losses; thus, urease inhibitors have been developed to mitigate these losses. In this work, the anti-ureolytic activity of Schiff’s base 4-(3-hydroxybenzylideneamino) phenol...
Article
Full-text available
Background: Infections caused by multi-resistant microorganisms are a public health issue. Synthetic products have been studied as a therapeutic alternative for these cases, with the aim of antibacterial activity or enhancing existing antibiotics. Methods: This study aimed to evaluate the antibacterial activity upon modifying antibiotic actions and...
Article
Neurodegenerative conditions like Alzheimer's disease (AD), Parkinson's disease (PD), and amyotrophic lateral sclerosis (ALS) encompass disorders characterized by the degeneration of neurons in specific circumstances. The quest for novel agents to influence these diseases, particularly AD, has unearthed various natural compounds displaying multifac...
Article
Amyotrophic lateral sclerosis (ALS) is a progressive neurodegenerative disease that causes the death of motor neurons and consequent muscle paralysis. Despite many efforts to address it, current therapy targeting ALS remains limited, increasing the interest in complementary therapies. Over the years, several herbal preparations and medicinal plants...
Article
Background: Thiadiazines are heterocyclic compounds that contain two nitrogen atoms and one sulfur atom in their structure. These synthetic molecules have several relevant pharmacological activities, such as antifungal, antibacterial, and antiparasitic. Objectives: The present study aimed to evaluate the possible in vitro and in silico interacti...
Article
Eugenia uniflora is a plant native to Brazil that has a wide geographical distribution and produces a high content of essential oils. The aim of the present study was to investigate the larvicidal activity of the hydrolate (Eu-HYD), aqueous extract (Eu-AE), essential oil (Eu-EO), and major compounds obtained from E. uniflora leaves against Aedes ae...
Article
Full-text available
A monitoria de Química Orgânica foi imprescindível durante o ensino remoto e, posteriormente, na adaptação do retorno às atividades presenciais, em razão dos inúmeros desafios de ambas as modalidades. Desse modo, baseando-se no plano de atividades proposto a monitora, foram desenvolvidas listas de exercício dos assuntos abordados, além de plantões...
Article
Full-text available
Hematological problems are associated with Coronavirus disease 2019 (COVID-19). Respiratory impairment is the higher point studied, although without experimental studies related to the oxygen transport performed by erythrocytes. Therefore, we decided to investigate if erythrocytes from COVID-19 patients have their functionality changed. The case-co...
Article
Full-text available
Non-communicable diseases (NCDs) are the major cause of death worldwide and have economic, psychological, and social impacts. Air pollution is the second, contributing to NCDs-related deaths. Metabolomics are a useful diagnostic and prognostic tool for NCDs, as they allow the identification of biomarkers linked to emerging pathologic processes. The...
Article
The accumulation of amyloid-β (Aβ) is the main event related to Alzheimer's disease (AD) progression. Over the years, several disease-modulating approaches have been reported, but without clinical success. The amyloid cascade hypothesis evolved and proposed essential targets such as tau protein aggregation and modulation of β-secretase (β-site amyl...
Chapter
Medicinal chemists around the world have been inspired by nature and have successfully extracted chemicals from plants. Research on enzymatic modifications of naturally occurring compounds has played a critical role in the search for biologically active molecules to treat diseases. This book set explores compounds of interest to researchers and cli...
Article
Ureases are enzymes produced by fungi, plants, and bacteria associated with agricultural and clinical problems. The urea hydrolysis in NH3 and CO2 leads to the loss of N-urea fertilizers in soils and changes the human stomach microenvironment, favoring the colonization of H. pylori. In this sense, it is necessary to evaluate potential enzyme inhibi...
Article
Full-text available
Trimetozine is used to be indicated for the treatment of mental illnesses, particularly anxiety. The present study provides data on the pharmacological profile of trimetozine derivative morpholine (3,5-di-tert-butyl-4-hydroxyphenyl) methanone (LQFM289) which was designed from molecular hybridization of trimetozine lead compound and 2,6-di-tert-buty...
Article
Background: Despite being a normal body response against invading agents, inflammation, when exaggerated, needs to be controlled to minimize damage to the body. There are several drugs in clinical use against inflammation and other inflammatory conditions. Still, side effects often limit the use of these drugs, such as gastrointestinal effects gene...
Article
Metabolomics is an innovative approach used in the medical, toxicological, and biological sciences. As an interdisciplinary topic, metabolomics and its relation with the environment and toxicological research are extensive. The use of substances, such as drugs and pesticides, contributes to the continuous releasing of xenobiotics into the environme...
Chapter
Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computatio...
Article
Full-text available
Evidence supports that the gut microbiota and bacteria-dependent metabolites influence the maintenance of epileptic brain activity. However, the alterations in the gut microbiota between epileptic versus healthy individuals are poorly understood. We used a multi-omic approach to evaluate the changes in the composition of gut metagenome as well in t...
Article
In this work, we investigated in vitro different biological activities of alkaline lignins extracted from the species Buchenavia viridiflora, a tree from the Amazon rainforest used as a wood product. The chemical composition results for the twig and leaves were, respectively (%): cellulose (30.88 and 24. 28), hemicellulose (21.62 and 23.03), lignin...
Chapter
Viral diseases have caused millions of deaths around the world. In the past, health organizations and pharmaceutical industries have neglected these diseases for years, mainly because they affected a small geographic population. In contrast, since 2016, several viral outbreaks have been reported worldwide, such as those caused by Ebola, Zika, and S...
Article
Full-text available
Drug design and discovery is a process that requires high financial cost, as time-consuming. For many years, this process was focused on empirical pharmacology. However, over the years, the approach target-based allowed a significant discovery in this field, initiating the rational design era. In view, to decrease the time and financial cost, the r...
Article
The discovery of antibiotics was a revolutionary feat that provided countless health benefits. The identification of penicillin by Alexander Fleming initiated the era of antibiotics, represented by constant discoveries that enabled effective treatments for the different classes of diseases caused by bacteria. However, the indiscriminate use of thes...
Article
Inflammation is a natural process in response to external stimuli associated with organism protection. However, this reaction could be exaggerated, leading to severe damages related to physiopathological processes, such as rheumatoid arthritis, cancer, diabetes, allergies, infections, among others. Inflammation is mainly characterized by pain, incr...
Article
Full-text available
Purpose The study aimed to assess the metabolic impact of elite Brazilian U-20 players using the rating of perceived exertion scale (RPE) to discriminate metabolomics sensitivity post-two soccer games separated by a short recovery interval. Methods Urine was collected immediately and then 20 h after two soccer matches of elite Brazilian U-20 playe...
Article
Background: The organism's defense against aggressive agents is performed by the innate immune system, via activation of pattern-recognition receptors (PRRs). Initially, these agents are recognized by the immune system, resulting in the inflammatory response that activates the pathogen elimination and tissue repair. Inflammasomes are macromolecules...
Article
Full-text available
A series of coumarin derivatives and isosteres were synthesized from the reaction of triflic intermediates with phenylboronic acids, terminal alkynes, and organozinc compounds through palladium-catalyzed cross-coupling reactions. The in vitro cytotoxic effect of the compounds was evaluated against two non-small cell lung carcinoma (NSCLC) cell line...
Article
Full-text available
Background: Since the end of 2019, the etiologic agent SAR-CoV-2 responsible for one of the most significant epidemics in history has caused severe global economic, social, and health damages. The drug repurposing approach and application of Structure-based Drug Discovery (SBDD) using in silico techniques are increasingly frequent, leading to the i...
Article
Full-text available
Twenty chromenes were synthesized with good to excellent yields (70-96%). From the series of chromenes herein tested, compounds 14, 12, 15, 16, 17, 18, and 20 were the most potent throughout the cancer human cell lines tested. In general, the para-position electron-withdrawing substituents on the phenyl ring are favored towards potency and selectiv...
Article
In this study, the interaction between benzothiazole (BTA, concentration of a drug required for 50% inhibition in vitro (IC50) = 0.77 mM) and benzimidazole (BIA, IC50 = 2.14 mM) with urease was quantitatively assessed, using UV-Vis, molecular fluorescence, and circular dichroism. The results showed that both compounds interact with urease by a stat...
Article
Full-text available
Hypertensive disorders of pregnancy are closely associated with prematurity, stillbirth, and maternal morbidity and mortality. The onset of hypertensive disorders of pregnancy (HDP) is generally noticed after the 20th week of gestation, limiting earlier intervention. The placenta is directly responsible for modulating local and systemic physiology...
Conference Paper
Full-text available
This work aimed to perform a virtual screening using a covalent docking and MM-PBSA protocol in an FDA-approved drugs library dataset to search for new compounds useful against this cruzain. Initially, 1615 FDA-approved compounds were visually inspected for the presence of chemical groups reactive against cruzain reactive cysteine (Cys 25), followe...
Article
Full-text available
Toxicological effects of 25H-NBOMe and 25H-NBOH recreational drugs on zebrafish embryos and larvae at the end of 96 h exposure period were demonstrated. 25H-NBOH and 25H-NBOMe caused high embryo mortality at 80 and 100 µg mL⁻¹, respectively. According to the decrease in the concentration tested, lethality decreased while non-lethal effects were pre...
Article
A convenient synthesis under ultrasound (US) irradiation of 4-thiazolidinone, thiazole, dihydrothiazole, and thiazine hybrid compounds containing quinoline and indole nucleus is described. All the title compounds were characterized by NMR and HRMS. The synthetic protocol affords highly selective conversions, short reaction times, simple work-up pro...
Article
Since November 2019, the new Coronavirus disease (COVID-19) caused by the etiological agent SARS-CoV-2 has been responsible for several cases worldwide, becoming pandemic in March 2020. Pharmaceutical industries and academics have joined their efforts to discover new therapies to control the disease, since there are no specific drugs to combat this...
Article
Over recent years, many outbreaks caused by (re)emerging RNA viruses have been reported worldwide, including life-threatening Flaviviruses, such as Dengue (DENV) and Zika (ZIKV). Currently, there is only one licensed vaccine against Dengue, Dengvaxia®. However, its administration is not recommended for children under nine years. Still, there are no...
Article
Neglected tropical diseases (NTDs) are a group of approximately 20 diseases that affect part of the population in Sub- and Tropical countries. In the past, pharmaceutical industries and governmental agencies have invested in the control, elimination and eradication of such diseases. Among these diseases, Chagas disease (CD) and Human African trypan...
Article
Monoterpenes are non-polar secondary metabolites widely used by industry due to their excellent therapeutic, food-ingredient and cosmetic properties. However, their low solubility in water limits their use. In this sense, cyclodextrins (CDs) have been widely used to solve these technological challenges. Thus, this study aims to use (–)-borneol as a...
Article
Background Leishmaniasis is a worldwide health problem, highly endemic in developing countries. Among the four main clinical forms of the disease, visceral leishmaniasis is the most severe, fatal in 95% of cases. The undesired side-effects from first-line chemotherapy and the reported drug resistance search for effective drugs that can replace or s...
Article
Full-text available
Nowadays, scientific research grows a lot around nanotechnology, which connects many areas of knowledge such as electrochemistry and magnetic nanoparticles (MNPs). The study of bioactive substances by electrochemical methods is already very conceptual, and the association of magnetic nanoparticles has emerged as a new bias of this technique. Here,...
Article
Full-text available
Hypertensive disorders of pregnancy are closely associated with prematurity, stillbirth, and maternal morbidity and mortality. The onset of hypertensive disorders of pregnancy (HDP) is generally noticed after the 20th week of gestation, limiting earlier intervention. The placenta is directly responsible for modulating local and systemic physiology...
Chapter
After the discovery of the infectious bronchitis virus (IBV) in 1932, Coronaviridae emerged as a family of viruses constituted of a positive-sense singlestranded RNA ((+)ssRNA) genome. Recently, the Coronavirus disease-2019 (COVID-19), which is caused by a new virus called SARS-CoV-2 (provisionally titled 2019-nCoV), was declared pandemic since it...
Chapter
Cysteine proteases play numerous and extremely important roles in the life cycle of parasitic organisms with medicinal importance. From general catabolic functions and protein processing, cysteine proteases may be key to parasite immunoevasion, excystment/encystment, and cell and tissue invasion. Parasite cysteine proteases are unusually immunogeni...
Chapter
After the discovery of the infectious bronchitis virus (IBV) in 1932, Coronaviridae emerged as a family of viruses constituted of a positive-sense single-stranded RNA ((+)ssRNA) genome. Recently, the Coronavirus disease-2019 (COVID-19), which is caused by a new virus called SARS-CoV-2 (provisionally titled 2019-nCoV), was declared pandemic since it...
Article
Full-text available
Background Viral diseases are responsible for several deaths around the world. Over the past few years, the world has seen several outbreaks caused by viral diseases that for a long time seemed to possess no risk. These are diseases that have been forgotten for a long time and, until nowadays, there are no approved drugs or vaccines, leading the ph...
Article
Background Methicillin-resistant and vancomycin-resistant Staphylococcus aureus are pathogens causing severe infectious diseases that pose real public health threats problems worldwide. In S. aureus, the most efficient multidrugresistant system is the NorA efflux pump. For this reason, it is critical to identify efflux pump inhibitors. Objective I...
Article
Full-text available
Chikungunya virus (CHIKV) causes an infectious disease characterized by inflammation and pain of the musculoskeletal tissues accompanied by swelling in the joints and cartilage damage. Currently, there are no licensed vaccines or chemotherapeutic agents to prevent or treat CHIKV infections. In this context, our research aimed to explore the potenti...
Article
Full-text available
Alzheimer's disease (AD) is a chronic neurodegenerative disease, which is difficult to diagnose in its early stages. It is associated with aging and consists of a decline in cognitive functions, memory, and other mental activities. Some pathophysiological markers are associated with AD progression and worsening, such as the deposition and intracell...
Patent
O mosquito Aedes aegypti é o vetor que transmite as arboviroses responsáveis pela disseminação dos vírus Dengue, Chikungunya e Zika doenças consideradas de grande impacto na saúde pública mundial. A resistência deste mosquito ao uso de inseticidas tem estimulado a procura por outros agentes químicos mais eficazes. Nesse sentido, o presente pedido d...
Article
Background Computer-Aided Drug Design (CADD) techniques have garnered a great deal of attention in academia and industry because of their great versatility, low costs, possibilities of cost reduction in in vitro screening and in the development of synthetic steps; these techniques are compared with high-throughput screening, in particular for candi...
Article
Much research in Alzheimer’s disease (AD) related to disease-modifying agents is concentrated on pharmacological approaches related to diagnostic markers, neurofibrillary tangles and amyloid plaques. Although most studies focus on anti-amyloid strategies, investigations of tau protein have produced significant advances in the modulation of the path...
Patent
A presente patente trata da atividade antibacteriana de quatro substâncias da classe das aminoguanidinas frente a cepas de importância clínica, como as Gram positivas Staphylococcus aureus, Staphylococcus epidermidis e as Gram negativas, Escherichia coli, Pseudomonas aeruginosa, Enterobacter cloacae e Shigella flexneri, que estão em forma de sal, p...
Book
Full-text available
Advances in Medicinal Chemistry Research (https://novapublishers.com/shop/advances-in-medicinal-chemistry-research/) is a book addressed to undergraduate and postgraduate students, where recent advances in the discovery and development of effective agents against the most remarkable wide-reaching diseases are presented, divided into seven chapters....
Article
Full-text available
Twenty-six Biginelli adducts were synthesized through an ionic liquid-assisted synthesis with up to 92% of yield. Sixteen of these Biginelli adducts were then assayed to determine their anti-ureolytic activity against purified urease from jack bean. The substances BA7-S, BA9-S and BA11-S showed to be as efficient inhibitors as hydroxyurea, a positi...
Article
Full-text available
Background Considering the need for the development of new antitumor drugs, associated with the great antitumor potential of thiophene and thiosemicarbazonic derivatives, in this work we promote molecular hybridization approach to synthesize new compounds with increased anticancer activity. Objective Investigate the antitumor activity and their li...
Article
An efficient and new electrochemical biosensor for detection of DNA damage, induced by the interaction of the hybrid anti-cancer compound (7ESTAC01) with DNA, was studied by differential pulse voltammetry (DPV). The biosensor consists of a Stem-Loop DNA (SL-DNA) probe covalently attached to the gold electrode (GE) surface that hybridizes to a compl...
Article
Full-text available
The term neglected diseases refers to a group of infections caused by various classes of pathogens, including protozoa, viruses, bacteria, and helminths, most often affecting impoverished populations without adequate sanitation living in close contact with infectious vectors and domestic animals. The fact that these diseases were historically not c...
Data
Figure S1: plant families and number of OEs evaluated between the years 2000 and 2018 against at least one species of Leishmania. Figure S2: plant families and the number of active EOs (IC50 ≤ 10 μg/mL) against at least one Leishmania species and parasite form. Table S1: inactive or moderated active EOs against Leishmania species.
Article
Acridines are considered an important class of compounds due to their wide variety of biological activities. In this work, we synthesized four acridine derivatives (1-4) and evaluated their biological activity against the Plasmodium falciparum W2 line, as well as studied the interaction with ctDNA and HSA using spectroscopic techniques and molecula...
Patent
Full-text available
Trata-se de compostos derivados sintetizados de aminoguanidinas, os quais apresentaram atividade antimicrobiana individualmente. As aminoguanidinas possuem versatilidade, fácil acesso e baixo custo de obtenção, dentro desse contexto, a produção das mesmas se torna possível, além da possibilidade de diversas modificações estruturais, permitindo a su...
Article
Background Indole-3-guanylhydrazone hydrochloride (LQM01) is a new derivative of aminoguanidine hydrochloride, an aromatic aminoguanidine. Methods Animals were treated with LQM01 (5, 10, 25 or 50 mg/kg, i.p.), vehicle (0.9% saline i.p.) or a standard drug. The mice were subjected to carrageenan-induced pleurisy, abdominal writhing induced by ace...
Patent
A presente invenção refere-se a composições farmacêuticas contendo alcaloide berberina, substância isolada da espécie vegetal Argemone mexicana Linn. A substância isolada de origem natural da presente invenção pode útil no tratamento de feridas limpas por promover a cicatrização e em feridas infectadas onde à medida que diminui/ elimina a presença...
Article
The cytotoxic activity of the pimarane diterpene annonalide (1) and nine of its semisynthetic derivatives (2-10) was investigated against the human tumor cell lines HL-60 (leukemia), PC-3 (prostate adenocarcinoma), HepG2 (hepatocellular carcinoma), SF-295 (glioblastoma) and HCT-116 (colon cancer), and normal mouse fibroblast (L929) cells. The prepa...
Article
Full-text available
Twenty-five piperidines were studied as potential radical scavengers and antitumor agents. Quantitative interaction of compounds with ctDNA using spectroscopic techniques was also evaluated. Our results demonstrate that the evaluated piperidines possesses different abilities to scavenge the radical 2,2-diphenyl-1-picrylhydrazyl (DPPH) and the anion...
Article
One of the promising fields for improving the effectiveness of antimicrobial agents is their combination with efflux pump inhibitors (EPIs), which besides expanding the use of existing antibiotics. The goal of this research was to evaluate a series of aminoguanidine hydrazones (AGH's, 1-19) as antibacterial agents and NorA efflux pump inhibitors in...
Article
Full-text available
Phosphodiesterase-4 (PDE4) is the most predominant subtype of PDEs present in cells. This enzyme is responsible for cAMP specific inactivation to 5'-AMP via hydrolysis and it has been associated with several inflammatory disorders. The aim of this study was to find molecular features from the pyridazin-3-one class in tentative to elucidate a 3D-Qua...