A5079599389- Adenosine and Purinergic Signaling
- Computational Drug Discovery Methods
- Inflammatory mediators and NSAID effects
- Mosquito-borne diseases and control
- Amyotrophic Lateral Sclerosis Research
- Alzheimer's disease research and treatments
- Metal-Catalyzed Oxygenation Mechanisms
- Click Chemistry and Applications
- Business and Management Studies
- Microbial Natural Products and Biosynthesis
- Biochemical and Molecular Research
- Viral Infections and Vectors
- Estrogen and related hormone effects
- Cancer, Hypoxia, and Metabolism
- Virology and Viral Diseases
- Photosynthetic Processes and Mechanisms
- Cholinesterase and Neurodegenerative Diseases
- HIV/AIDS drug development and treatment
- Enzyme-mediated dye degradation
- Mitochondrial Function and Pathology
- Adipose Tissue and Metabolism
- Synthetic Organic Chemistry Methods
- Public Health in Brazil
- HIV Research and Treatment
Universidade Estadual de Campinas (UNICAMP)
2024
Universidade de São Paulo
2016-2020
Ecto-5′-nucleotidase (ecto-5′-NT, CD73) is a zinc-binding metallophosphatase that plays key role in extracellular purinergic pathways, being implicated several physiological and pathophysiological processes, such as immune homeostasis, inflammation, tumor progression. As such, it has been recognized promising biological target for many diseases, including cancer, infections, autoimmune diseases. Despite its importance, so far only few inhibitors of this enzyme are known, most which not...
BIOACTIVE COMPOUNDS: CONCEPTS AND APLICATIONS.The search and use of bioactive compounds for different applications have been investigated, since ancient time.Virtual screening (VS) has emerged as alternative methodological approach to the Combinatory Chemistry High-Throughput Screening (HTS) in identifying novel drug candidates.In VS, only that are selected applying computational tools huge virtual libraries further tested vitro.However, effective VS model some challenges such inherent...
Promiscuous inhibition due to aggregate formation has been recognized as a major concern in drug discovery campaigns. Here, we report some aggregators identified virtual screening (VS) protocol search for inhibitors of human ecto-5′-nucleotidase (ecto-5′-NT/CD73), promising target several diseases and pathophysiological events, including cancer, inflammation autoimmune diseases. Four compounds (A, B, C D), selected from the ZINC-11 database, showed IC50 values micromolar range, being at same...
Organic hydroperoxide resistance (Ohr) enzymes are highly efficient Cys-based peroxidases that play central roles in bacterial response to fatty acid hydroperoxides and peroxynitrite, two oxidants generated during host-pathogen interactions. In the active site of Ohr proteins, conserved Arg (Arg19 from Xylella fastidiosa) Glu (Glu51 residues, among other factors, involved extremely high reactivity peroxidatic Cys (Cp) toward hydroperoxides. closed state, thiolate Cp is close proximity...
ABSTRACT The human 15-lipoxygenase-2 (h15-LOX-2) is a non-heme iron-containing enzyme that catalyzes the regio- and stereospecific oxygenation of polyunsaturated fatty acids, mainly arachidonic acid, implicated in biosynthesis pro- anti-inflammatory lipid mediators. biological roles h15-LOX-2 have not been completely unveiled, but it has suggested high expression levels are related to pathogenesis atherosclerosis some types cancer. Inhibitors might be helpful for deeper understanding its...
The human 15-lipoxygenase-2 (h15-LOX-2) catalyzes mainly the regio- and stereospecific oxygenation of arachidonate to its corresponding hydroperoxide (15(S)-HpETE). h15-LOX-2 is implicated in biosynthesis inflammatory lipid mediators plays a role development atherosclerotic plaques, but it still underexploited as drug target. Here, search for novel inhibitors, we used virtual screening (VS) approach consisting shape-based matching, two-dimensional (2D) structural "dissimilarity", docking,...
ABSTRACT Lipid peroxidation generates a huge number of reactive electrophilic aldehyde products. These aldehydes can modify macromolecules such as proteins, resulting in loss function and/or aggregation. The accumulation Cu,Zn-superoxide dismutase (SOD1) aggregates is associated with familial cases amyotrophic lateral sclerosis (ALS). Recent studies have shown that lipid and its oxidized derivatives may play role this process. Here we aimed to compare characterize the ability lipid-derived...