7,282 results match your criteria bioactivity compounds

Stingless bee honey: An overview of health benefits and main market challenges.

J Food Biochem 2021 Aug 2:e13883. Epub 2021 Aug 2.

Department of Food Engineering, University of Paraíba, João Pessoa, Brazil.

This review aimed to evaluate the nutraceutical and medicinal effects of stingless bee honey (SBH) by bringing a discussion focused on the main known in vitro/in vivo health-promoting effects. SBH has a high-water content, slight sweetness, acidic flavor, fluid texture, and slow crystallization. The type and concentration of phenolic compounds and consequent antioxidant activity were mainly associated with the floral sources, geographical location, bee species, and processing steps. Read More

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Flavonoids in Ampelopsis grossedentata as covalent inhibitors of SARS-CoV-2 3CL: Inhibition potentials, covalent binding sites and inhibitory mechanisms.

Int J Biol Macromol 2021 Jul 29. Epub 2021 Jul 29.

Shanghai Frontiers Science Center for Traditional Chinese Medicine Chemical Biology, Institute of Interdisciplinary Integrative Medicine Research, Shanghai University of Traditional Chinese Medicine, Shanghai, China. Electronic address:

Coronavirus 3C-like protease (3CL) is a crucial target for treating coronavirus diseases including COVID-19. Our preliminary screening showed that Ampelopsis grossedentata extract (AGE) displayed potent SARS-CoV-2-3CL inhibitory activity, but the key constituents with SARS-CoV-2-3CL inhibitory effect and their mechanisms were unrevealed. Herein, a practical strategy via integrating bioactivity-guided fractionation and purification, mass spectrometry-based peptide profiling and time-dependent biochemical assay, was applied to identify the crucial constituents in AGE and to uncover their inhibitory mechanisms. Read More

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Targeting COVID-19 (SARS-CoV-2) main protease through active phytocompounds of ayurvedic medicinal plants - Emblica officinalis (Amla), Phyllanthus niruri Linn. (Bhumi Amla) and Tinospora cordifolia (Giloy) - A molecular docking and simulation study.

Comput Biol Med 2021 Jul 24;136:104683. Epub 2021 Jul 24.

Plant Cell Biotechnology Department, CSIR-Central Food Technological Research Institute, Mysuru, 570 020, Karnataka, India; Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201 002, Uttar Pradesh, India. Electronic address:

Coronavirus Disease-2019 (COVID-19), a viral disease caused by severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) was declared a global pandemic by WHO in 2020. In this scenario, SARS-CoV-2 main protease (COVID-19 M), an enzyme mainly involved in viral replication and transcription is identified as a crucial target for drug discovery. Traditionally used medicinal plants contain a large amount of bioactives and pave a new path to develop drugs and medications for COVID-19. Read More

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Bioactive compounds of mango (Mangifera Indica): Extraction technologies and chemical constituents - A review.

J Sci Food Agric 2021 Jul 29. Epub 2021 Jul 29.

Research Group of Complex Fluid Engineering and Food Rheology, University of Cartagena, Cartagena, Colombia.

Background: Mango (Mangifera indica) has been recognized as a rich source of bioactive compounds with potential pharmaceutical and nutraceutical applications, attracted increasing interest from research.

Results: Phytochemistry studies have demonstrated that phenolic compounds are one of the most important biologically active components of Mangifera indica extracts. Ultrasounds and microwave-assisted extractions, and supercritical fluids have been employed for the obtention of bioactive molecules, such as phenolic acids, terpenoids, carotenoids, and fatty acids. Read More

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The synthesis and bioactivity of pyrrolo[2,3-d]pyrimidine derivatives as tyrosine kinase inhibitors for NSCLC cells with EGFR mutations.

Eur J Med Chem 2021 Jul 21;224:113711. Epub 2021 Jul 21.

Department of Respiratory and Critical Care Medicine, Targeted Tracer Research and Development Laboratory, West China Hospital, Sichuan University, Chengdu, Sichuan, 610093, PR China; Targeted Tracer Research and Development Laboratory, Institute of Respiratory Health, Frontiers Science Center for Disease-related Molecular Network, West China Hospital, Sichuan University, Chengdu, Sichuan, 610041, PR China; Precision Medicine Research Center, West China Hospital, Sichuan University, Chengdu, Sichuan, 610044, PR China. Electronic address:

EGFR mutations are an ongoing challenge in the treatment of NSCLC, and demand continuous updating of EGFR TKI drug candidates. Pyrrolopyrimidines are one group of versatile scaffolds suitable for tailored drug development. However not many precedents of this type of pharmacophore have been investigated in the realm of third generation of covalent EGFR-TKIs. Read More

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Traditional uses, phytochemistry, pharmacology, toxicology and formulation aspects of Glycosmis species: A systematic review.

Phytochemistry 2021 Jul 24;190:112865. Epub 2021 Jul 24.

National Institute of Pharmaceutical Education and Research-Ahmedabad (NIPER-A), An Institute of National Importance, Government of India, Department of Pharmaceuticals, Ministry of Chemicals and Fertilizers, Opp. Air Force Station, Palaj, Gandhinagar, 382355, Gujarat, India. Electronic address:

The present article is a systematic and constructive review of the traditional medicinal uses, chemistry, pharmacology, toxicology, and formulation aspects of Glycosmis species. The genus Glycosmis comprise 51 accepted species broadly distributed in Australia, China, India, and South-East Asia. Traditionally, Glycosmis species are used in folk medicines to treat cancer, anaemia, rheumatism, fever, cough, liver-related problems, skin ailments, intestinal worm infections, wounds, and facial inflammation. Read More

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Natural multi-target modulators of pathological pathways in Alzheimer's disease isolated from the skin.

Nat Prod Res 2021 Jul 27:1-5. Epub 2021 Jul 27.

Laboratorio de Péptidos Bioactivos, Departamento de Química Orgánica, Facultad de Bioquímica y Ciencias Biológicas, Universidad Nacional del Litoral, Santa Fe, Argentina.

The skin of anuran amphibians is a rich source of compounds with great medicinal potential. Alzheimer's disease (AD) is a complex disease associated with numerous pathological pathways, making their simultaneous modulation necessary. Nowadays the development of anti-AD drugs is focused on a Multi-Target Directed Ligands strategy. Read More

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α-Glucosidase inhibition action of major flavonoids identified from Hypericum attenuatum Choisy and their synergistic effects.

Chem Biodivers 2021 Jul 26. Epub 2021 Jul 26.

Tianjin University of Science and Technology, College of Biotechnology, No. 9, the 13th Road, Economic and Technological Development Zone, Tianjin, CHINA.

Hypericum attenuatum Choisy is a traditional Chinese herbal plant with multiple therapeutic effects. In this study, bioactivity-guided fractionation of Hypericum attenuatum Choisy extracts afforded three major flavonoids (including astragalin, guaijaverin and quercetin), which possessed α-glucosidase inhibitory activity with IC 50 values of 33.90 ± 0. Read More

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Fragmenlt Recombination Design, Synthesis, and Safener Activity of Novel Ester-Substituted Pyrazole Derivatives.

J Agric Food Chem 2021 Jul 26. Epub 2021 Jul 26.

Department of Chemistry, College of Arts and Sciences, Northeast Agricultural University, Harbin 150030, China.

Fenoxaprop--ethyl (FE), a type of acetyl-CoA carboxylase (ACCase) inhibitor, has been extensively applied to a variety of crop plants. It can cause damage to wheat () even resulting in the death of the crop. On the prerequisite of not reducing herbicidal efficiency on target weed species, herbicide safeners selectively protect crops from herbicide injury. Read More

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Baicalein, Baicalin, and Wogonin: Protective Effects against Ischemia-Induced Neurodegeneration in the Brain and Retina.

Oxid Med Cell Longev 2021 29;2021:8377362. Epub 2021 Jun 29.

School of Optometry, The Hong Kong Polytechnic University, Hong Kong.

Ischemia is a common pathological condition present in many neurodegenerative diseases, including ischemic stroke, retinal vascular occlusion, diabetic retinopathy, and glaucoma, threatening the sight and lives of millions of people globally. Ischemia can trigger excessive oxidative stress, inflammation, and vascular dysfunction, leading to the disruption of tissue homeostasis and, ultimately, cell death. Current therapies are very limited and have a narrow time window for effective treatment. Read More

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Revealing Adverse Outcome Pathways from Public High-Throughput Screening Data to Evaluate New Toxicants by a Knowledge-Based Deep Neural Network Approach.

Environ Sci Technol 2021 Aug 25;55(15):10875-10887. Epub 2021 Jul 25.

Center for Computational and Integrative Biology, Rutgers University Camden, Camden, New Jersey 08103, United States.

Traditional experimental testing to identify endocrine disruptors that enhance estrogenic signaling relies on expensive and labor-intensive experiments. We sought to design a knowledge-based deep neural network (k-DNN) approach to reveal and organize public high-throughput screening data for compounds with nuclear estrogen receptor α and β (ERα and ERβ) binding potentials. The target activity was rodent uterotrophic bioactivity driven by ERα/ERβ activations. Read More

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Fucoxanthin Holds Potential to Become a Drug Adjuvant in Breast Cancer Treatment: Evidence from 2D and 3D Cell Cultures.

Molecules 2021 Jul 15;26(14). Epub 2021 Jul 15.

Institute of Biomedical Sciences Abel Salazar (ICBAS), University of Porto (U.Porto), Rua de Jorge Viterbo Ferreira 228, 4050-313 Porto, Portugal.

Fucoxanthin (Fx) is a carotenoid derived from marine organisms that exhibits anticancer activities. However, its role as a potential drug adjuvant in breast cancer (BC) treatment is still poorly explored. Firstly, this study investigated the cytotoxic effects of Fx alone and combined with doxorubicin (Dox) and cisplatin (Cis) on a panel of 2D-cultured BC cell lines (MCF7, SKBR3 and MDA-MB-231) and one non-tumoral cell line (MCF12A). Read More

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Microbial Synthesis and Evaluation of Fungistatic Activity of 3-Butyl-3-hydroxyphthalide, the Mammalian Metabolite of 3--Butylidenephthalide.

Int J Mol Sci 2021 Jul 15;22(14). Epub 2021 Jul 15.

Department of Chemistry, Wrocław University of Environmental and Life Sciences, Norwida 25, 50-375 Wrocław, Poland.

Phthalides are bioactive compounds that naturally occur in the family Apiaceae. Considering their potentially versatile applications, it is desirable to determine their physical properties, activity and metabolic pathways. This study aimed to examine the utility of whole-cell biocatalysts for obtaining 3-butyl-3-hydroxyphthalide, which is the metabolite formulated during mammalian metabolism of 3--butylidenephthalide. Read More

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Fabrication of Versatile Pyrazole Hydrazide Derivatives Bearing a 1,3,4-Oxadiazole Core as Multipurpose Agricultural Chemicals against Plant Fungal, Oomycete, and Bacterial Diseases.

J Agric Food Chem 2021 Jul 23. Epub 2021 Jul 23.

State Key Laboratory Breeding Base of Green Pesticide and Agricultural Bioengineering, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Center for R&D of Fine Chemicals of Guizhou University, Guiyang 550025, China.

Developing multipurpose agricultural chemicals is appealing in crop protection, thus eventually realizing the reduction and efficient usage of pesticides. Herein, an array of versatile pyrazole hydrazide derivatives bearing a 1,3,4-oxadiazole core were initially synthesized and biologically evaluated the antifungal, antioomycetes, and antibacterial activities. In addition, the pyrazole ring was replaced by the correlative pyrrole, thiazole, and indole scaffolds to extend the molecular diversity. Read More

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Cyclodextrins as carriers for volatile aroma compounds: A review.

Carbohydr Polym 2021 Oct 3;269:118292. Epub 2021 Jun 3.

School of Perfume and Aroma Technology, Shanghai Institute of Technology, No. 100 Haiquan Road, Shanghai 201418, China; Key Laboratory of Textile Science & Technology, Ministry of Education, College of Textiles, Donghua University, Shanghai 201620, China. Electronic address:

Cyclodextrins (CDs) are edible and biocompatible natural cyclic compounds that can encapsulate essential oils, flavours, volatile aroma compounds, and other substances. Complexation with CD-based materials improves the solubility and stability of volatile compounds and protects the bioactivity of the core materials. Therefore, the development of CD/volatile compound nanosystems is a key research area in the food, cosmetic, and pharmaceutical industries. Read More

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October 2021

A new bioactive isocoumarin from the mangrove-derived fungus sp. TGM112.

J Asian Nat Prod Res 2021 Jul 22:1-6. Epub 2021 Jul 22.

Key Laboratory of Tropical Medicinal Resource Chemistry of Ministry of Education, College of Chemistry and Chemical Engineering, Hainan Normal University, Haikou 571158, China.

A new isocoumarin, penicimarin N (), along with five known compounds (), were isolated from the mangrove-derived fungus sp. TGM112. The structure of was elucidated on the basis of extensive spectroscopic data analysis, and the absolute configuration of was determined by comparison of their circular dichroism (CD) spectra with the literature. Read More

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Bio-guided bioactive profiling and HPLC-DAD fingerprinting of Ukrainian saffron (Crocus sativus stigmas): moving from correlation toward causation.

BMC Complement Med Ther 2021 Jul 21;21(1):203. Epub 2021 Jul 21.

Graduate Institute of Natural Products, College of Medicine, Chang Gung University, Taoyuan, 33302, Taiwan.

Background: Saffron or stigmas of Crocus sativus L. is one of the most valuable food products with interesting health-promoting properties. C. Read More

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The immunosuppressive activity of artemisinin-type drugs towards inflammatory and autoimmune diseases.

Med Res Rev 2021 Jul 21. Epub 2021 Jul 21.

Oesch-Tox Toxicological Consulting and Expert Opinions, Ingelheim, Germany and Institute of Toxicology,  Johannes Gutenberg University of Mainz, Mainz, Germany.

The sesquiterpene lactone artemisinin from Artemisia annua L. is well established for malaria therapy, but its bioactivity spectrum is much broader. In this review, we give a comprehensive and timely overview of the literature regarding the immunosuppressive activity of artemisinin-type compounds toward inflammatory and autoimmune diseases. Read More

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Development of Machine Learning Models and the Discovery of a New Antiviral Compound against Yellow Fever Virus.

J Chem Inf Model 2021 Jul 21. Epub 2021 Jul 21.

Collaborations Pharmaceuticals, Inc., 840 Main Campus Drive, Lab 3510, Raleigh, North Carolina 27606, United States.

Yellow fever (YF) is an acute viral hemorrhagic disease transmitted by infected mosquitoes. Large epidemics of YF occur when the virus is introduced into heavily populated areas with high mosquito density and low vaccination coverage. The lack of a specific small molecule drug treatment against YF as well as for homologous infections, such as zika and dengue, highlights the importance of these flaviviruses as a public health concern. Read More

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ERpred: a web server for the prediction of subtype-specific estrogen receptor antagonists.

PeerJ 2021 9;9:e11716. Epub 2021 Jul 9.

Center of Data Mining and Biomedical Informatics, Faculty of Medical Technology, Mahidol University, Bangkok, Thailand.

Estrogen receptors alpha and beta (ERα and ERβ) are responsible for breast cancer metastasis through their involvement of clinical outcomes. Estradiol and hormone replacement therapy targets both ERs, but this often leads to an increased risk of breast and endometrial cancers as well as thromboembolism. A major challenge is posed for the development of compounds possessing ER subtype specificity. Read More

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Design, synthesis and preliminary bioactivity evaluation of bitopic benzopyranomorpholine analogues as selective dopamine D3 receptor ligands as anti-drug addiction therapeutic agents.

Bioorg Med Chem Lett 2021 Jul 17;48:128269. Epub 2021 Jul 17.

School of Biological Science & Medical Engineering, Southeast University, Nanjing 210096, PR China.

Three series of bitopic benzopyranomorpholine analogues were designed, synthesized, and evaluated as a novel class of selective ligands for the dopamine D3 receptor. Binding affinities of target compounds were determined using the method of radioligand binding assay. Most compounds demonstrated considerable binding affinities and selectivity for D3 receptor. Read More

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Heterologous production of equol by lactic acid bacteria strains in culture medium and food.

Int J Food Microbiol 2021 Jul 15:109328. Epub 2021 Jul 15.

Departamento de Tecnología de Alimentos, Instituto Nacional de Investigación y Tecnología Agraria y Alimentaria (INIA), Carretera de La Coruña Km 7.5, 28040 Madrid, Spain. Electronic address:

The isoflavones daidzin and genistin, present in soybeans, can be transformed by the intestinal microbiota into equol and 5-hydroxy-equol, compounds with enhanced availability and bioactivity, although these are only produced by a fraction of the population. Hence, there is an interest in the production of these compounds, although, to date, few bacteria with biotechnological interest and applicability in food have been found able to produce equol. In order to obtain lactic acid bacteria able to produce equol, the daidzein reductase (dzr), dihydrodaidzein reductase (ddr), tetrahydrodaidzein reductase (tdr) and dihydrodaidzein racemase (ifcA) genes, from Slackia isoflavoniconvertens DSM22006, were cloned into the vector pNZ:TuR, under a strong constitutive promoter (TuR). Read More

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Classification, Toxicity and Bioactivity of Natural Diterpenoid Alkaloids.

Molecules 2021 Jul 5;26(13). Epub 2021 Jul 5.

Department of European Cultures (DICEM), University of Basilicata, 75100 Matera, Italy.

Diterpenoid alkaloids are natural compounds having complex structural features with many stereo-centres originating from the amination of natural tetracyclic diterpenes and produced primarily from plants in the , , genera. Corals, , Okinawan/, Alcyonacea (soft corals) and marine sponges are rich sources of diterpenoids, despite the difficulty to access them and the lack of availability. Researchers have long been concerned with the potential beneficial or harmful effects of diterpenoid alkaloids due to their structural complexity, which accounts for their use as pharmaceuticals as well as their lousy reputation as toxic substances. Read More

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Assessment of Dietary Bioactive Phenolic Compounds and Agricultural Sustainability of an African Leafy Vegetable L.

Front Nutr 2021 1;8:667812. Epub 2021 Jul 1.

Department of Biotechnology and Bioscience, University of Milan-Bicocca, Milan, Italy.

L. is an African leafy vegetable of high nutritional interest. To assess its agricultural suitability to sustainable cultivation conditions and its potential benefits for human nutrition, its phytochemical content in response to conservation agriculture practices [i. Read More

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In silico molecular docking and in vitro antimicrobial efficacy of phytochemicals against multi-drug-resistant enteroaggregative Escherichia coli and non-typhoidal Salmonella spp.

Gut Pathog 2021 Jul 17;13(1):46. Epub 2021 Jul 17.

ICAR-National Research Centre on Meat, Chengicherla, Boduppal Post, 500 092, Hyderabad, India.

Background: In the wake of emergence of antimicrobial resistance, bioactive phytochemical compounds are proving to be important therapeutic agents. The present study envisaged in silico molecular docking as well as in vitro antimicrobial efficacy screening of identified phytochemical ligands to the dispersin (aap) and outer membrane osmoporin (OmpC) domains of enteroaggregative Escherichia coli (EAEC) and non-typhoidal Salmonella spp. (NTS), respectively. Read More

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Effect-directed profiling of 32 vanilla products, characterization of multi-potent compounds and quantification of vanillin and ethylvanillin.

J Chromatogr A 2021 Aug 30;1652:462377. Epub 2021 Jun 30.

Institute of Nutritional Science, Chair of Food Science, and TransMIT Center for Effect-Directed Analysis, Justus Liebig University Giessen, Heinrich-Buff-Ring 26-32, 35392 Giessen, Germany; On leave from Università degli Studi di Modena e Reggio Emilia, Facoltà di Farmacia, Via Giuseppe Campi 203, 41125 Modena, Italy.

Food testing is of great importance to the food industry and organizations to verify the authenticity claims, to prove the quality of raw materials and products, and to ensure food safety. The market prices of vanilla differed by a factor of about 20 in the last three decades. Therefore the risk of adulteration and counterfeiting of vanilla products is high. Read More

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PyRMD: A New Fully Automated AI-Powered Ligand-Based Virtual Screening Tool.

J Chem Inf Model 2021 Jul 16. Epub 2021 Jul 16.

DiSTABiF, University of Campania Luigi Vanvitelli, Via Vivaldi 43, 81100 Caserta, Italy.

Artificial intelligence (AI) algorithms are dramatically redefining the current drug discovery landscape by boosting the efficiency of its various steps. Still, their implementation often requires a certain level of expertise in AI paradigms and coding. This often prevents the use of these powerful methodologies by non-expert users involved in the design of new biologically active compounds. Read More

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Polyphenol-Mediated Gut Microbiota Modulation: Toward Prebiotics and Further.

Front Nutr 2021 28;8:689456. Epub 2021 Jun 28.

Faculty of Agriculture and Food Sciences, Institute of Nutrition and Functional Foods (INAF), Laval University, Québec, QC, Canada.

The genome of gut microbes encodes a collection of enzymes whose metabolic functions contribute to the bioavailability and bioactivity of unabsorbed (poly)phenols. Datasets from high throughput sequencing, metabolome measurements, and other omics have expanded the understanding of the different modes of actions by which (poly)phenols modulate the microbiome conferring health benefits to the host. Progress have been made to identify direct prebiotic effects of (poly)phenols; albeit up to date, these compounds are not recognized as prebiotics . Read More

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Isolation and characterization of marine sponge-associated Streptomyces sp. NMF6 strain producing secondary metabolite(s) possessing antimicrobial, antioxidant, anticancer, and antiviral activities.

J Genet Eng Biotechnol 2021 Jul 15;19(1):102. Epub 2021 Jul 15.

Marine Biotechnology and Natural Products Laboratory, National Institute of Oceanography and Fisheries, Cairo, Egypt.

Background: Actinomycetes associated with marine sponge represent a promising source of bioactive compounds. Herein, we report the isolation, identification, and bioactivity evaluation of Streptomyces sp. NMF6 associated with the marine sponge Diacarnus ardoukobae. Read More

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High Potential for Secondary Metabolite Production of CP157, Isolated From the Crustacean .

Front Microbiol 2021 28;12:688754. Epub 2021 Jun 28.

Institute for Chemistry and Biology of the Marine Environment, University of Oldenburg, Oldenburg, Germany.

Secondary metabolites are key components in microbial ecology by mediating interactions between bacteria and their environment, neighboring species or host organisms. Bioactivities can be beneficial for both interaction partners or provide a competitive advantage only for the producer. Colonizers of confined habitats such as biofilms are known as prolific producers of a great number of bioactive secondary metabolites and are a potential source for novel compounds. Read More

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