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Botrytis cinerea, which has developed many strategies to infect plants, can survive in harsh environmental conditions, and has a wide host range, has become an important problem both economically and ecologically by causing tons of crop losses for many years. The residues in soil and crops caused by chemical pesticides used to get rid of agricultural pests pose serious threats to human and environmental health, such as hormonal abnormalities and acute respiratory poisoning, especially in children. The most critical step to avoid these hazards will be to replace chemical pesticides with plant-active molecules. At the same time, these studies primarily in silico will provide a return in terms of both time and cost. Inhibition of pectin methyl esterase, an important virulence factor of B. cinerea, will ensure the organism is controlled. In order to determine candidate biofungicide effector molecules, QSAR parameter values of 409 plant active molecules were calculated. Firstly, conformer distribution and geometry optimizations were performed with Spartan 14’ software. Docking studies of the optimized molecules were carried out through Autodock Vina software, while visualization studies to make sense of the interactions between the target receptor structure and effector molecules were used by BIOVIA Discovery Studio software. As a result of all the analyses, the molecules that are alternatives to chemical pesticides as biofungicides were determined to be the following molecules: Podolactone B, Repin, Sandaracopimaradienediol, 6-Hydrogenistein, Artemisinin, Lycoricidine, 6-Methoxygossypol, Viscidulin, Ciprofloxacin, and 7,4’-Dihydroxyflavan. [ABSTRACT FROM AUTHOR] more...

Background: Antidesma is a large genus consisting of around 100 species, which are widely distributed in the tropics and subtropics of Asia, some species can be found in Africa, the Pacific islands, and Australia. The uses of Antidesma plants range from food (for juice, jam, and red wine production) to medicinal purposes (for treatment of indigestion, pneumonia, menstrual regulation, and osteoarthritis). Methods: The review was conducted by gathering relevant literature from secondary databases, including Web of Science, Google Scholar, and PubMed, as well as specialized books and websites. Results: There have been more than 140 compounds reported as chemical constituents of the genus Antidesma, which mainly belonged to alkaloid, phenolic, flavonoid, lignan, and terpenoid classes. The high content of phenolic compounds was found in A. bunius and A. thwaitesianum fruits, which also correlates with the potential anti-oxidant activities of respective plants. Besides that, the antibiotic, antifungal, and anti-inflammatory activities, as well as effects on metabolism were also investigated and reported. Conclusion: The plants of the Antidesma genus have a wide range of applications in food and medicine. The published results have shown that the genus is a precious source of bioactive natural compounds, which was shown beneficial for preventive medicine. Further research is required to promote the application in the healthcare system. [ABSTRACT FROM AUTHOR] more...

Introduction: Jujube is an important economic forest tree whose fruit is rich in alkaloids. Chinese jujube (Ziziphus jujuba Mill.) and sour jujube (Ziziphus spinosa Hu.) are the two most important species of the jujube genus. However, the mechanisms underlying the synthesis and metabolism of alkaloids in jujube fruits remain poorly understood. Methods: In this study, the fruits of Ziziphus jujuba 'Hupingzao' and Ziziphus spinosa 'Taigusuanzao' in different harvest stages were used as test materials, we first integrated widely targeted metabolomics and transcriptomics analyses to elucidate the metabolism of alkaloids of jujube fruits. Results: In the metabolomics analysis, 44 alkaloid metabolites were identified in 4 samples, 3 of which were unique to sour jujube fruit. The differential alkaloid metabolites (DAMs) were more accumulated in sour jujube than in Chinese jujube; further, they were more accumulated in the white ripening stage than in the red stage. DAMs were annotated to 12 metabolic pathways. Additionally, transcriptomics data revealed 259 differentially expressed genes (DEGs) involved in alkaloid synthesis and metabolism. By mapping the regulatory networks of DAMs and DEGs, we screened out important metabolites and 11 candidate genes. Discussion: This study preliminarily elucidated the molecular mechanism of jujube alkaloid synthesis. The candidate genes regulated the synthesis of key alkaloid metabolites, but the specific regulation mechanism is unclear. Taken together, our results provide insights into the metabolic networks of alkaloid synthesis in Chinese jujube and sour jujube fruits at different harvest stages, thereby providing a theoretical reference for further research on the regulatory mechanism of jujube alkaloids and their development and utilization. [ABSTRACT FROM AUTHOR] more...

Introduction: Rhamnus alaternus L. belongs to the genus Rhamnus (Rhamnaceae). It is a medicinal plant growing in Algeria. This plant is used worldwide as effective pharmacological remedy. Objective: This study describes in detail the phytochemical composition and the in vitro biological activities of R. alaternus L. aerial parts extracts. Methods: Total contents of bioactive components were estimated and the antioxidant potential was assessed by DPPH and hydroxyl radical scavenging assays, ferric reducing antioxidant activity and total antioxidant capacity. Additionally, the haemolytic activity was evaluated towards human red blood cells and the cytotoxicity was performed using Brine shrimp lethality test. Furthermore, the antibacterial activity was estimated in vitro against five bacteria. Seven known secondary metabolites have been established using different spectroscopic techniques such as 1D- and 2D-NMR experiments and ESI mass spectrometry and by comparison to data reported in the literature. Results: The chemical investigation of the aerial portions’ ethyl acetate extract of R. alaternus allowed the characterization of three triterpenoids, two phytosterols and two flavonoids. High levels of phenols and flavonoids were estimated in both ethyl acetate (EtOAc) and n-butanol (n-BuOH) extracts. These extracts exhibit strong ferric reducing antioxidant activity and significant hydroxyl and DPPH radicals scavenging effects. Moreover, the petroleum ether (PE) extract shows a very strong haemolytic effect with 94.03 ± 0.21% at 50 µg/mL and induces the mortality of 78.57 ± 0.17% of Brine Shrimp nauplii at 20 µg/mL. Furthermore, the tested crude extracts (PE, EtOAc and n-BuOH) inhibit the growth of all the bacterial strains. Conclusion: R. alaternus constitutes a natural resource of bioactive substances with potential cytotoxic, antioxidant and antibacterial effects. [ABSTRACT FROM AUTHOR] more...

Ziziphus nummularia, a small bush of the Rhamnaceae family, has been widely used in traditional folk medicine, is rich in bioactive molecules, and has many reported pharmacological and therapeutic properties. Objective: To gather the current knowledge related to the medicinal characteristics of Z. nummularia. Specifically, its phytochemical contents and pharmacological activities in the treatment of various diseases such as cancer, diabetes, and cardiovascular diseases, are discussed. Methods: Major scientific literature databases, including PubMed, Scopus, ScienceDirect, SciFinder, Chemical Abstracts, Medicinal and Aromatic Plants Abstracts, Henriette's Herbal Homepage, Dr. Duke's Phytochemical and Ethnobotanical Databases, were searched to retrieve articles related to the review subject. General web searches using Google and Google scholar were also utilized. The search period covered articles published between 1980 and the end of October 2021.The search used the keywords 'Ziziphus nummularia', AND ('phytochemical content', 'pharmacological properties, or activities, or effects, or roles', 'anti-inflammatory', 'anti-drought', 'anti-thermal', 'anthelmintic', 'antidiabetic',' anticancer', 'anticholinesterase', 'antimicrobial', 'sedative', 'antipyretic', 'analgesic', or 'gastrointestinal'). Results: This plant is rich in characteristic alkaloids, especially cyclopeptide alkaloids such as nummularine-M. Other phytochemicals, including flavonoids, saponins, glycosides, tannins, and phenolic compounds, are also present. These phytochemicals are responsible for the reported pharmacological properties of Z. nummularia, including anti-inflammatory, antioxidant, antimicrobial, anthelmintic, antidiabetic, anticancer, analgesic, and gastrointestinal activities. In addition, Z. nummularia has anti-drought and anti-thermal characteristics. Conclusion: Research into the phytochemical and pharmacological properties of Z. nummularia has demonstrated that this plant is a rich source of novel bioactive compounds. So far, Z. nummularia has shown a varied pharmacological profile (antioxidant, anticancer, anti-inflammatory, and cardioprotective), warranting further research to uncover the therapeutic potential of the bioactives of this plant. Taken together, Z. nummularia may represent a new potential target for the discovery of new drug leads. [ABSTRACT FROM AUTHOR] more...

LC-HRMS-assisted chemical profiling of Zizyphus mauritiana fruit extract (ZFE) led to the dereplication of 28 metabolites. Furthermore, wound healing activity of ZFE in 24 adult male New Zealand Dutch strain albino rabbits was investigated in-vivo supported by histopathological investigation. Additionally, the molecular mechanism was studied through different in-vitro investigations as well as, studying both relative gene expression and relative protein expression patterns. Moreover, the antioxidant activity of ZFE extract was examined using two in-vitro assays including hydrogen peroxide and superoxide radical scavenging activities that showed promising antioxidant potential. Topical application of the extract on excision wounds showed a significant increase in the wound healing rate (p < 0.001) in comparison to the untreated and MEBO®-treated groups, enhancing TGF-β1, VEGF, Type I collagen expression, and suppressing inflammatory markers (TNF-α and IL-1β). Moreover, an in silico molecular docking against TNFα, TGFBR1, and IL-1β showed that some of the molecules identified in ZFE can bind to the three wound-healing related protein actives sites. Additionally, PASS computational calculation of antioxidant activity revealed potential activity of three phenolic compounds (Pa score > 0.5). Consequently, ZFE may be a potential alternative medication helping wound healing owing to its antioxidant and anti-inflammatory activities. [ABSTRACT FROM AUTHOR] more...