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View article: Latin American Natural Product Database (LANaPDB): An Update
Latin American Natural Product Database (LANaPDB): An Update Open
Natural product (NP) databases are crucial tools in computer-aided drug design (CADD). Over the past decade, there has been a worldwide effort to assemble information regarding natural products (NPs) isolated and characterized in certain g…
View article: Latin American Natural Product Database (LANaPDB): an update
Latin American Natural Product Database (LANaPDB): an update Open
Natural product (NP) databases are crucial tools in computer-aided drug design (CADD). Over the last decade, there has been a worldwide effort to assemble information regarding natural products (NPs) isolated and characterized in certain g…
View article: Updating and profiling the natural product‐likeness of Latin American compound libraries**
Updating and profiling the natural product‐likeness of Latin American compound libraries** Open
Compound databases of natural products play a crucial role in drug discovery and development projects and have implications in other areas, such as food chemical research, ecology and metabolomics. Recently, we put together the first versi…
View article: Machine Learning-Based Virtual Screening of Antibacterial Agents against Methicillin-Susceptible and Resistant <i>Staphylococcus aureus</i>
Machine Learning-Based Virtual Screening of Antibacterial Agents against Methicillin-Susceptible and Resistant <i>Staphylococcus aureus</i> Open
The application of computer-aided drug discovery (CADD) approaches has enabled the discovery of new antimicrobial therapeutic agents in the past. The high prevalence of methicillin-resistantStaphylococcus aureus(MRSA) strains promoted this…
View article: Profiling the natural product-likeness of Latin American compound libraries
Profiling the natural product-likeness of Latin American compound libraries Open
Compound databases of natural products play a crucial role in drug discovery and development projects and have implications in other areas, such as food chemical research, ecology and metabolomics. Recently, we put together the first versi…
View article: Navigating the Chemical Space and Chemical Multiverse of a Unified Latin American Natural Product Database: LANaPDB
Navigating the Chemical Space and Chemical Multiverse of a Unified Latin American Natural Product Database: LANaPDB Open
The number of databases of natural products (NPs) has increased substantially. Latin America is extraordinarily rich in biodiversity, enabling the identification of novel NPs, which has encouraged both the development of databases and the …
View article: Twenty-five years of natural products research in NuBBE
Twenty-five years of natural products research in NuBBE Open
The richness of Brazilian biodiversity translates into a valuable collection of molecules with biological properties that range from ecological functions to pharmacological properties. For over 25 years, the Nucleus of Bioassays, Biosynthe…
View article: Microbiomes and metabolomes of dominant coral reef primary producers illustrate a potential role for immunolipids in marine symbioses
Microbiomes and metabolomes of dominant coral reef primary producers illustrate a potential role for immunolipids in marine symbioses Open
The dominant benthic primary producers in coral reef ecosystems are complex holobionts with diverse microbiomes and metabolomes. In this study, we characterize the tissue metabolomes and microbiomes of corals, macroalgae, and crustose cora…
View article: Navigating the Chemical Space and Chemical Multiverse of a Unified Latin American Natural Product Database: LANaPDB
Navigating the Chemical Space and Chemical Multiverse of a Unified Latin American Natural Product Database: LANaPDB Open
The number of databases of natural products (NPs) have increased substantially. Latin America is extraordinarily rich in biodiversity enabling the identification of novel NPs, which has encouraged both the development of databases and the …
View article: Homology Modeling of Alpha-Glucosidase from Candida albicans: Sequence Analysis and Structural Validation Studies in silico
Homology Modeling of Alpha-Glucosidase from Candida albicans: Sequence Analysis and Structural Validation Studies in silico Open
The alpha-glucosidase enzyme of Candida albicans plays a vital role in the pathogenesis of candidiasis, a serious fatal disease in immune-compromised patients. The unavailability of the threedimensional crystallographic structure of this e…
View article: Development of a Novel Chemoinformatic Tool for Natural Product Databases
Development of a Novel Chemoinformatic Tool for Natural Product Databases Open
Aim: This study aimed to develop a chemoinformatic tool for extracting natural product information from academic literature. Materials & methods: Machine learning graph embeddings were used to extract knowledge from a knowledge graph, conn…
View article: Advanced Glycation End Products Inhibitors from Talisia esculenta
Advanced Glycation End Products Inhibitors from Talisia esculenta Open
Advanced Glycation End Products (AGEs) are formed under hyperglycemic conditions but also during the natural aging process.AGEs are associated with skin aging, loss of skin elasticity, and some chronic diseases such as diabetes and Alzheim…
View article: Evaluation of the Metabolic Production from the Co-Culture of Saccharicola sp. and Botryosphaeria parva, an Endophytic Fungi Associated with Eugenia jambolana Lam.
Evaluation of the Metabolic Production from the Co-Culture of Saccharicola sp. and Botryosphaeria parva, an Endophytic Fungi Associated with Eugenia jambolana Lam. Open
A new compound, (6R,7S,2E,4E)-6,7-dihydroxy-4,6-dimethylocta-2,4-dienoic acid (1), together with eight known compounds were isolated from the co-culture of Saccharicola sp. and Botryosphaeria parva, an endophytic fungi associated with Euge…
View article: Identification of natural cytochalasins as leads for neglected tropical diseases drug discovery
Identification of natural cytochalasins as leads for neglected tropical diseases drug discovery Open
Investigating the chemical diversity of natural products from tropical environments is an inspiring approach to developing new drug candidates for neglected tropical diseases (NTDs). In the present study, phenotypic screenings for antiprot…
View article: <i>In vitro</i> antiglycation and antioxidant properties of <i>Eugenia pyriformis</i> leaves and fruits
<i>In vitro</i> antiglycation and antioxidant properties of <i>Eugenia pyriformis</i> leaves and fruits Open
Eight phenolic compounds were isolated from Eugenia pyriformis leaves fraction by semi-preparative HPLC and characterized by Nuclear Magnetic Resonance (NMR) and mass spectrometry (ESI-MS). Five compounds were isolated and identified for t…
View article: Brazilian cyclotides from plants: An overview
Brazilian cyclotides from plants: An overview Open
Some flowering plants biosynthesize peptides known as cyclotides. These peptides present a peculiar cyclic structure with a molecular weight range of 2.8 to 3.7 kDa. They are characterized by a head-to-tail cyclized backbone, which is stab…
View article: Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop
Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop Open
We report the major conclusions of the online open-access workshop “Computational Applications in Secondary Metabolite Discovery (CAiSMD)” that took place from 08 to 10 March 2021. Invited speakers from academia and industry and about 200 …
View article: Identification of a Prenyl Chalcone as a Competitive Lipoxygenase Inhibitor: Screening, Biochemical Evaluation and Molecular Modeling Studies
Identification of a Prenyl Chalcone as a Competitive Lipoxygenase Inhibitor: Screening, Biochemical Evaluation and Molecular Modeling Studies Open
Cyclooxygenase (COX) and lipoxygenase (LOX) are key targets for the development of new anti-inflammatory agents. LOX, which is involved in the biosynthesis of mediators in inflammation and allergic reactions, was selected for a biochemical…
View article: Cyclotides from Brazilian <i>Palicourea sessilis</i> and Their Effects on Human Lymphocytes
Cyclotides from Brazilian <i>Palicourea sessilis</i> and Their Effects on Human Lymphocytes Open
Cyclotides are plant-derived peptides found within five families of flowering plants (Violaceae, Rubiaceae, Fabaceae, Solanaceae, and Poaceae) that have a cyclic backbone and six conserved cysteine residues linked by disulfide bonds. Their…
View article: PLANT METABOLOMICS: METHODS AND CHALLENGES
PLANT METABOLOMICS: METHODS AND CHALLENGES Open
Metabolomics has played a central role in various areas of plant sciences, offering new perspectives for the advancement of agriculture, drug discovery, chemical ecology and taxonomy. Plant metabolomics (identification and quantification) …
View article: The Potential of Biologically Active Brazilian Plant Species as a Strategy to Search for Molecular Models for Mosquito Control
The Potential of Biologically Active Brazilian Plant Species as a Strategy to Search for Molecular Models for Mosquito Control Open
Natural products are a valuable source of biologically active compounds and continue to play an important role in modern drug discovery due to their great structural diversity and unique biological properties. Brazilian biodiversity is one…
View article: Bioactive Bioflavonoids from Platonia insignis (Bacuri) Residues as Added Value Compounds
Bioactive Bioflavonoids from Platonia insignis (Bacuri) Residues as Added Value Compounds Open
Platonia insignis fruit, popularly known as bacuri, is traditionally used in folk medicine for its anti-inflammatory and antioxidant properties. Therefore, this study determined the chemical composition and biological activities of the bac…
View article: Can Statistical Evaluation Tools for Chromatographic Method Development Assist in the Natural Products Workflow? A Case Study on Selected Species of the Plant Family Malpighiaceae
Can Statistical Evaluation Tools for Chromatographic Method Development Assist in the Natural Products Workflow? A Case Study on Selected Species of the Plant Family Malpighiaceae Open
Proper chromatographic methods may reduce the challenges inherent in analyzing natural product extracts, especially when utilizing hyphenated detection techniques involving mass spectrometry. As there are many variations one can introduce …