Single crystal investigations, spectral analysis, DFT studies, antioxidants, and molecular docking investigations of novel hexaisothiocyanato chromate complex

Journal of Molecular Structure, Journal Year: 2022, Volume and Issue: 1272, P. 134223 - 134223

Published: Sept. 28, 2022

Language: Английский

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Application of molecular dynamics simulation for exploring the roles of plant biomolecules in promoting environmental health

The Science of The Total Environment, Journal Year: 2023, Volume and Issue: 869, P. 161871 - 161871

Published: Jan. 26, 2023

Language: Английский

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The control of Fusarium growth and decontamination of produced mycotoxins by lactic acid bacteria

Critical Reviews in Food Science and Nutrition, Journal Year: 2022, Volume and Issue: 63(32), P. 11125 - 11152

Published: June 16, 2022

Global crop and food contamination with mycotoxins are one of the primary worldwide concerns, while there several restrictions regarding approaching conventional physical chemical decontamination methods due to nutrition loss, sensory attribute reduction in foods, residual, inconvenient operation, high cost equipment, energy consumption some methods. In this regard, overarching challenges mycotoxin crops require development biological strategies. Using certain lactic acid bacteria (LAB) as generally recognized safe (GRAS) compounds is most effective alternatives their potential release antifungal metabolites against various fungal factors species. This review highlights applications LAB biodetoxificant agents summarizes activities Fusarium growth released into food/feed. Firstly, occurrence instrumental bioanalytical for analysis were in-depth discussed. Upgraded knowledge on biosynthesis pathway produced by offers new insightful ideas clarifying function these secondary metabolites. Moreover, characterization impact from Fusarium, besides main mechanisms decontamination, covered. While thematic inhibition very complex, worth deeper investigations.

Language: Английский

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Stachybotrys chartarum—A Hidden Treasure: Secondary Metabolites, Bioactivities, and Biotechnological Relevance

Journal of Fungi, Journal Year: 2022, Volume and Issue: 8(5), P. 504 - 504

Published: May 12, 2022

Fungi are renowned as a fountainhead of bio-metabolites that could be employed for producing novel therapeutic agents, well enzymes with wide biotechnological and industrial applications. Stachybotrys chartarum (black mold) (Stachybotriaceae) is toxigenic fungus commonly found in damp environments. This has the capacity to produce various classes unrivaled structural features, including cyclosporins, cochlioquinones, atranones, trichothecenes, dolabellanes, phenylspirodrimanes, xanthones, isoindoline chromene derivatives. Moreover, it source have variable relevance. The current review highlights formerly published data on S. chartarum, its metabolites their bioactivities, relevance dated from 1973 beginning 2022. In this work, 215 been listed 138 references cited.

Language: Английский

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Novel Alkaloids from Aspergillus fumigatus VDL36, an Endophytic Fungus Associated with Vaccinium dunalianum

Journal of Agricultural and Food Chemistry, Journal Year: 2024, Volume and Issue: 72(19), P. 10970 - 10980

Published: May 6, 2024

Eleven alkaloids (1–11) including seven new ones, 1–7, were isolated from the solid fermentation of Aspergillus fumigatus VDL36, an endophytic fungus leaves Vaccinium dunalianum Wight (Ericaceae), a perennial evergreen shrub distributed across Southwest regions China, Myanmar, and Vietnam. Their structures elucidated on basis extensive spectroscopic methods. The isolates evaluated for in vitro antifungal activities against five phytopathogenic fungi (Fusarium oxysporum, Coriolus versicolor, Fusarium solani, Botrytis cinerea, graminearum). As result, compounds fumigaclavine I (1), 13-ethoxycyclotryprostatin A (5), 13-dehydroxycyclotryprostatin (6), 12β-hydroxy-13-oxofumitremorgin C (7) exhibited with MIC values 7.8–62.5 μg/mL which comparable to two positive controls ketoconazole (MIC = 7.8–31.25 μg/mL) carbendazim 1.95–7.8 μg/mL). Furthermore, 1 5 demonstrated potent protective curative effects tomato gray mold vivo. Preliminary structure–activity relationships tested indole diketopiperazine indicate that introduction substituent group at position C-13 enhances their biological activities.

Language: Английский

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Aspergillus ochraceus: Metabolites, Bioactivities, Biosynthesis, and Biotechnological Potential

Molecules, Journal Year: 2022, Volume and Issue: 27(19), P. 6759 - 6759

Published: Oct. 10, 2022

Fungus continues to attract great attention as a promising pool of biometabolites. Aspergillus ochraceus Wilh (Aspergillaceae) has established its capacity biosynthesize myriad metabolites belonging different chemical classes, such isocoumarins, pyrazines, sterols, indole alkaloids, diketopiperazines, polyketides, peptides, quinones, and sesquiterpenoids, revealing various bioactivities that are antimicrobial, cytotoxic, antiviral, anti-inflammatory, insecticidal, neuroprotective. Additionally, A. produces variety enzymes could have variable industrial biotechnological applications. From 1965 until June 2022, 165 were reported from isolated sources. In this review, the formerly separated ochraceus, including their biosynthesis, in addition, potential highlighted.

Language: Английский

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New Alpha-Amylase Inhibitory Metabolites from Pericarps of Garcinia mangostana

Life, Journal Year: 2022, Volume and Issue: 12(3), P. 384 - 384

Published: March 7, 2022

Two new benzophenones: garcimangophenones A (6) and B (7) five formerly reported metabolites were purified from the pericarps EtOAc fraction of Garcinia mangostana ((GM) Clusiaceae). Their structures characterized by various spectral techniques comparing with literature. The α-amylase inhibitory (AAI) potential isolated was assessed. Compounds 7 6 had significant AAI activity (IC50 9.3 12.2 µM, respectively) compared acarbose 6.4 reference inhibitor). On other hand, 5 a moderate activity. Additionally, their towards assessed utilizing docking studies molecular dynamics (MD) simulations. predictive binding energy estimations accomplished using crystal structure (PDB ID: 5TD4). possessed highly negative scores -11.3 -8.2 kcal/mol, when complexed 5TD4, respectively while score -16.1 5TD4. By simulations, compounds stability in complexes analyzed, it found to be stable over course 50 ns. results suggested that benzophenone derivative may inhibitors. However, further investigations support these findings are required.

Language: Английский

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Broadening the Scope of Bacteria DNA Gyrase B Inhibitors by Marine Compounds: Insights Form Molecular Docking, Mm-Gbsa, Molecular Dynamics Simulations and Admet Predictions

Published: Jan. 1, 2025

Language: Английский

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Broadening the scope of Bacteria DNA Gyrase B Inhibitors by marine compounds: insights form molecular docking, MM-GBSA, molecular dynamics simulations and ADMET predictions

Scientific African, Journal Year: 2025, Volume and Issue: unknown, P. e02658 - e02658

Published: March 1, 2025

Language: Английский

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Benzophenones-natural metabolites with great Hopes in drug discovery: structures, occurrence, bioactivities, and biosynthesis

RSC Advances, Journal Year: 2023, Volume and Issue: 13(34), P. 23472 - 23498

Published: Jan. 1, 2023

Fungi have protruded with enormous development in the repository of drug discovery, making them some most attractive sources for synthesis bio-significant and structural novel metabolites.

Language: Английский

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