Research Article
Phytochemical Screening and Antimicrobial Properties of Leaf Extracts from Newbouldia laevis (P. Beauv) and Flueggea virosa (Roxb. ex Willd.)
Issue:
Volume 13, Issue 2, April 2025
Pages:
33-40
Received:
3 March 2025
Accepted:
18 March 2025
Published:
2 April 2025
Abstract: Using plants to treat human diseases is very old and has evolved throughout human history. Flueggea virosa and Newbouldia laevis are two plant species acclimatized in Benin and used in Africa to treat several diseases such as malaria, liver diseases; fever, migraine, diarrhea, dysentery, intestinal worms, diabetes, sexually transmitted diseases, etc. In this work, we studied methanolic and hydroethanolic leaf extracts from those species. Phytochemical screening was determined by the Hounton and Raman methods, and the antimicrobial activity of the leaf extracts was evaluated by the microdilution method. The antimicrobial properties of the leaf extracts were examined on five bacteria strains. The phytochemical analysis revealed the presence of alkaloids, polyphenols, tannins, flavonoids, anthocyanins, coumarins, mucilages, reducing compounds, and bound anthracene derivatives (O-heterosides and C-heterosides). Quinonine derivatives were absent in the leaves of Flueggea virosa, but present in the leaves of Newbouldia laevis. In addition, the leaves of Flueggea virosa contained saponosides, triterpenoids compared to those of Newbouldia laevis. Moreover, Flueggea virosa leaves enclosed no cardenolides, cyanogenic derivatives as well as, free leuco-anthocyanins and anthracene derivatives. Evaluation of antimicrobial activity in the five strains included in this study showed better results (minimum inhibitory concentrations between 31.2 and 1000 μg/mL), specifically with the methanolic extract from Flueggea virosa leaves that showed a Minimum Inhibitory Concentration (MIC) equal to 31.2 μg/mL against the reference strain of Staphylococcus aureus ATCC 12600. Among the two plants, Flueggea virosa extracts showed more interesting antimicrobial activity then those of Newbouldia laevis on strains.
Abstract: Using plants to treat human diseases is very old and has evolved throughout human history. Flueggea virosa and Newbouldia laevis are two plant species acclimatized in Benin and used in Africa to treat several diseases such as malaria, liver diseases; fever, migraine, diarrhea, dysentery, intestinal worms, diabetes, sexually transmitted diseases, et...
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Research Article
A Coupled Potential QM/MM Simulation of 2-(2-fury)-3-hydroxychromone: Insights into the ESIPT Process
Abdallah Brahim Elhadj Ali*
,
Pale Wang-yang
Issue:
Volume 13, Issue 2, April 2025
Pages:
41-45
Received:
11 February 2025
Accepted:
22 February 2025
Published:
17 April 2025
DOI:
10.11648/j.sjc.20251302.12
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Abstract: Hybrid quantum mechanics/molecular mechanics (QM/MM) simulations are a powerful method for studying chemical reactions in condensed phases. This approach combines two levels of modeling: regions involved in chemical processes are treated using quantum mechanics, while the remaining parts of the system are modeled with molecular mechanics. This method allows for the analysis of chemical reactivity, such as the Excited-State Intramolecular Proton Transfer (ESIPT) process. In this study, two simulations were performed to examine the behavior of 2-(2-fury)-3-hydroxychromone (FHC) in a periodic box with a polar protic solvent. The first simulation uses classical molecular dynamics (MD), while the second applies the semi-empirical PM3 Hamiltonian to the FHC molecules. The goal was to compare the results of both simulations to better understand the system's dynamics. A key feature of this approach is the abrupt change in the description of the molecule when it crosses a given cutoff, leading to sudden changes in the energy and forces involved. This study provides new insights into the use of QM/MM hybrid simulations to analyze proton transfer processes like ESIPT and their application in complex molecular systems where interactions between molecules play a crucial role. In summary, the study highlights the potential of hybrid simulations to understand the dynamics of chemical processes at the molecular scale, particularly for complex phenomena like ESIPT.
Abstract: Hybrid quantum mechanics/molecular mechanics (QM/MM) simulations are a powerful method for studying chemical reactions in condensed phases. This approach combines two levels of modeling: regions involved in chemical processes are treated using quantum mechanics, while the remaining parts of the system are modeled with molecular mechanics. This meth...
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