Molecular docking studies, chemical composition, antioxidant, cytotoxicity, antibacterial and antifungal activities of Globularia alypum extract

2021 ◽  
Vol 17 ◽  
Author(s):  
Najla Hajji ◽  
Sihem Bayar ◽  
Nacim Zouari ◽  
Hisham Altayb ◽  
Hichem Sebai ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Antioxidant Activities ◽  
Docking Study ◽  
Trna Synthetase ◽  
Oral Bacteria ◽  
Antifungal Activities ◽  
Antibacterial And Antifungal Activities ◽  
Globularia Alypum ◽  
Antibacterial And Antifungal

Background: Globularia alypum L. is a Mediterranean plant of the Globulariaceae family which has been used in folk medicine to cure several diseases. Different studies have been done in vitro and in vivo using diverse G. alypum extracts to understand this traditional use. Methods: In this study, Tunisian G. alypum leaf methanol extract (GAME) was chemically identified using LC-ESI-MS, then examined in vitro for its antioxidant, antibacterial, and antifungal activities. Besides, a molecular docking study was also conducted. Results: Nineteen phenolic compounds were detected, with trans-cinnamic acid (45.14%) and luteolin 7-O-glucoside (19.82%) being the dominant ones. The GAME demonstrated important antioxidant activities, especially against 2, 2-diphenyl-l-1-picrylhydrazil (DPPH) radical (IC50 = 16.1±1.1 μg.ml−1) and exhibited an anti-proliferative effect against Vero cells with (IC50 2091 ± 177 μg.ml−1)). Data also reveals that the GAME inhibited the growth of oral bacteria, in particular Streptococcus oralis (MICs value ranged from 2560 to 20480 μg.ml−1)). In addition, GAME has a significant antifungal action, especially against Candida albicans ATCC 90028 (MIC=2560 µg.ml−1)). Docking study identified one of the major molecules (luteolin 7-O-glucoside) present in the GAME extract, displaying a good interaction with tyrosinase (docking score −9.6 kcal.mol−1)) and other antibacterial (tyrosyl-tRNA synthetase, gyrase, deformylase) and antifungal (n-myristoyl-transferase, chitinase) target proteins. Conclusion: This study illustrates that GAME has potent sources of antioxidants and antimicrobials useful in combating oral bacteria. Hence GAME can be of reasonable use in food technology, processing, as well as the medical field.

scholarly journals Antimicrobial Activity and In Silico Molecular Docking Studies of Pentacyclic Spiro[oxindole-2,3′-pyrrolidines] Tethered with Succinimide Scaffolds

2021 ◽  
Vol 12 (1) ◽  
pp. 360
Author(s):  
Sonia Askri ◽  
Amal Dbeibia ◽  
Chadlia Mchiri ◽  
Sarra Boudriga ◽  
Michael Knorr ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Structural Complexity ◽  
Cascade Reactions ◽  
Docking Studies ◽  
Trna Synthetase ◽  
Pharmacokinetic Studies ◽  
Spectroscopic Techniques ◽  
Antibacterial And Antifungal Activities ◽  
Antibacterial And Antifungal

Three-component cascade reactions of (E)-3-arylidene-1-methyl-pyrrolidine-2,5-diones, L-valine and various isatin derivatives are described. A series of 17 spiropyrrolidine derivatives with wide structural complexity and diversity have been thus obtained in moderate to excellent yields under mild reaction conditions. The structure and stereochemistry of these N-heterocyclic cycloadducts has been established by spectroscopic techniques and unambiguously confirmed by a single-crystal X-ray diffraction analysis performed on one derivative. UV-visible spectra have been recorded for all new compounds. Furthermore, the synthesized N-heterocyclic compounds have been screened for their in vitro antibacterial and antifungal activities. Several derivatives exhibited moderate to good activities, comparable to those of the known standard drugs Amphotericin B and Tetracycline. Structural activity relationships (SARs) and molecular docking of the most promising derivatives into the binding sites of glucosamine 6-phosphate synthase (GlcN6P) and methionyl-trna-synthetase (1PFV) were also established. Furthermore, pharmacokinetic studies indicate that the heterocycles exhibit acceptable predictive ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties and good drug ability.

Synthesis of New Series of Phenyldiazene Based Metal Complexes for Designing Most Active Antibacterial and Antifungal Agents

2021 ◽  
Vol 43 (5) ◽  
pp. 578-578
Author(s):  
Khalil Ahmad Khalil Ahmad ◽  
Habib ur Rehman Shah Habib ur Rehman Shah ◽  
Areeba Ashfaq Areeba Ashfaq ◽  
Muhammad Ashfaq Muhammad Ashfaq ◽  
Muhammad Kashif Muhammad Kashif ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Antifungal Agents ◽  
Standard Drug ◽  
Antifungal Activities ◽  
Antibacterial And Antifungal Activities ◽  
Excellent Activity ◽  
Antibacterial And Antifungal

In this study, In Vitro antibacterial and antifungal activities of azo series based on transition metal complexes (Cu2+, Zn2+, Mn2+, Co2+ and Ni2+) with already our reported ligands named as; [(E)-1-(1, 3-dioxolan-2-yl)-2-phenyldiazene] (K-1), [(E)-1-(1, 3-dioxolan-2-yl)-2-(4-methylphenyl)diazene] (K-2), 2-[(E)-phenyl diazenyl]-1H-benzimidazole] (K-3), [(E)-1-(1, 3-dioxolan-2-yl)-2-(4-ethylphenyl)diazene] (K-4), and [(E)-1-(1, 3-dioxolan-2-yl)-2-(2-methylphenyl)-diazene] (K-5) were studied. FTIR 1H-NMR and mass spectrometric techniques were applied for interpretation of synthesized complexes. 4.05-4.07 ppm chemical shift appearance of azo group confirms azo coupling with transition metal complexes. N=N, C-H, C-N and C-O groups are also confirmed by FTIR which exhibited peaks at 1400-1500, 2090-3090, 1100-1180, 1010-1060 and 625-780 cm-1. Furthermore, mass spectroscopic data also gives strong indication for the synthesis of metal complexes. All the newly synthesized complexes were screened for their antibacterial and antifungal activities. Antibacterial and antifungal activity against S. aureus, E.coli and A.niger, A.ustus and C.albican at conc. 250 and#181;g/ml showed excellent activity by K-1 complexes (Co2+, Cu2+, Ni2+), K-5 complexes (Zn2+, Mn2+, Cu2+), K-2 complexes (Co2+, Cu2+, Mn2+) and K-3 (Zn2+, Mn2+, Co2+, Cu2+) as compared to standard drug (Ampicillin). Hence, based on this study, it was concluded that these azo based complexes may act as a platform for designing more active antibacterial and antifungal agents.

In vitro Antibacterial and Antifungal Activities of Ethanolic Extract of Aloe vera Leaf Gel

2006 ◽  
Vol 1 (4) ◽  
pp. 348-355 ◽  
Author(s):  
S. Subramania ◽  
D. Sathish Kumar . ◽  
P. Arulselvan . ◽  
G.P. Senthilkumar .
Keyword(s):  
Aloe Vera ◽  
Ethanolic Extract ◽  
Antifungal Activities ◽  
Antibacterial And Antifungal Activities ◽  
Antibacterial And Antifungal

scholarly journals Phytochemical and Antimicrobial Investigation of Latex from Euphorbia Abyssinica Gmel

2008 ◽  
Vol 3 (9) ◽  
pp. 1934578X0800300 ◽  
Author(s):  
Fathy EL-Fiky ◽  
Kaleab Asres ◽  
Simon Gibbons ◽  
Hala Hammoda ◽  
Jihan Badr ◽  
...  
Keyword(s):  
Fatty Acid ◽  
Oleanolic Acid ◽  
Unsaturated Fatty Acid ◽  
Methanol Extract ◽  
Antifungal Activities ◽  
Antibacterial And Antifungal Activities ◽  
Phytochemical Investigation ◽  
Antibacterial And Antifungal ◽  
Micro Organisms

Phytochemical investigation of the latex of Euphorbia abyssinica Gmel (Euphorbiaceae) afforded a new hydroxy unsaturated fatty acid, 8( R)-hydroxy-dec-3( E)-en-oic acid (1), in addition to the four known compounds lupeol (2), β-sitosterol (3), oleanolic acid (4) and β-sitosterol-3- O-glucoside (5). The in vitro antibacterial and antifungal activities of the isolated compounds, as well as the total methanol extract, were studied against different micro-organisms; compound 1 displayed reasonable antifungal activities towards the tested fungi.

Syntheses, in vitro antibacterial and antifungal activities of a series of N-alkyl, 1,4-dithiines

Il Farmaco ◽  
2005 ◽  
Vol 60 (11-12) ◽  
pp. 944-947 ◽  
Author(s):  
F. Zentz ◽  
R. Labia ◽  
D. Sirot ◽  
O. Faure ◽  
R. Grillot ◽  
...  
Keyword(s):  
Antifungal Activities ◽  
Antibacterial And Antifungal Activities ◽  
Antibacterial And Antifungal
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