Virtual Screening of Antimicrobial Agents from Medicinal Plants

2021 ◽  
Vol 47 (4) ◽  
pp. 939-944
Author(s):  
Yongzhong Lu ◽  
Junkui Zhao ◽  
Linyue Cheng
Keyword(s):  
Virtual Screening ◽  
Medicinal Plants ◽  
Antimicrobial Agents

Discovery of Antibacterial Agents Inhibiting the Energy-Coupling Factor (ECF) Transporters by Structure-Based Virtual Screening

2020 ◽  
Author(s):  
Eleonora Diamanti ◽  
Inda Setyawati ◽  
Spyridon Bousis ◽  
leticia mojas ◽  
lotteke Swier ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Antibacterial Agents ◽  
Antimicrobial Agents ◽  
Energy Coupling ◽  
Coupling Factor ◽  
Design Synthesis ◽  
Screening Design ◽  
Starting Point ◽  
Wide Range ◽  
Vitamin Uptake

Here, we report on the virtual screening, design, synthesis and structure–activity relationships (SARs) of the first class of selective, antibacterial agents against the energy-coupling factor (ECF) transporters. The ECF transporters are a family of transmembrane proteins involved in the uptake of vitamins in a wide range of bacteria. Inhibition of the activity of these proteins could reduce the viability of pathogens that depend on vitamin uptake. Because of their central role in the metabolism of bacteria and their absence in humans, ECF transporters are novel potential antimicrobial targets to tackle infection. The hit compound’s metabolic and plasma stability, the potency (20, MIC Streptococcus pneumoniae = 2 µg/mL), the absence of cytotoxicity and a lack of resistance development under the conditions tested here suggest that this scaffold may represent a promising starting point for the development of novel antimicrobial agents with an unprecedented mechanism of action.<br>

Virtual Screening for Anti-HIV-1 RT and Anti-HIV-1 PR Inhibitors from the Thai Medicinal Plants Database: A Combined Docking with Neural Networks Approach

2005 ◽  
Vol 8 (5) ◽  
pp. 417-429 ◽  
Author(s):  
Chak Sangma ◽  
Daungmanee Chuakheaw ◽  
Nipa Jongkon ◽  
Kittipong Saenbandit ◽  
Peerapol Nunrium ◽  
...  
Keyword(s):  
Neural Networks ◽  
Virtual Screening ◽  
Medicinal Plants ◽  
Thai Medicinal Plants ◽  
Anti Hiv ◽  
Hiv 1

scholarly journals Virtual screening of natural compounds as combinatorial agents from indian medicinal plants against estrogen positive breast cancer

2020 ◽  
Vol 3 (10) ◽  
pp. 266-275
Author(s):  
Shaleen Jain ◽  
Dr. Asmita Das
Keyword(s):  
Breast Cancer ◽  
Estrogen Receptor ◽  
Virtual Screening ◽  
Medicinal Plants ◽  
Natural Compounds ◽  
Binding Energies ◽  
Common Amino Acid ◽  
Estrogen Receptor Positive ◽  
Positive Breast Cancer

Facing worldwide challenges associated with multifactorial etiology of breast cancer, designing of combinatorial therapies using natural compounds is currently the emergent way of treating several cancers including breast cancer in a synergistic way, which may mitigate several problems associated with multiple receptor targeting. In this research, Estrogen receptor positive breast cancer was taken as prototype and several key receptors associated with this particular disease were targeted by virtual screening of natural compounds found in Indian originated medicinal plants using Computer aided Drug Designing (CADD) strategies. We found the combination of Carpusin, Paulownin Cornigerine, Nororientaline, Oryzalexin B, Romucosine H and Colchicine as effective against six potential receptors i.e. FGFR2, ESR1, PIK3CA, PIK3CB, PIK3CD and AR in Estrogen receptor positive breast cancer with their binding energies in the range of ∆G ≤ -8.0 Kcal/mol as well as significant number of common amino acid binding residues as compared with binding sites of receptors. Thus this research holds significant implications for the designing of combinatorial therapeutic agents against breast cancer which can be further tested in-vitro and in-vivo to prove their synergistic efficiency.

Biochemical Composition, Antimicrobial and Antifungal Activities Assessment of the Fermented Medicinal Plants Extract Using Lactic Acid Bacteria

2021 ◽  
Author(s):  
Hamza Gadhoumi ◽  
Akrem Hayouni EL ◽  
Enriqueta Martinez-Rojas ◽  
Walid Yeddes ◽  
Moufida Saidani Tounsi
Keyword(s):  
Medicinal Plants ◽  
Phytophthora Infestans ◽  
Volatile Compounds ◽  
Biochemical Composition ◽  
Pathogenic Bacteria ◽  
Antimicrobial Agents ◽  
Food Preservation ◽  
Antifungal Activities ◽  
Antimicrobial And Antifungal Activities ◽  
Plants Extract

Abstract To prevent foodborne diseases and extend shelf-life, antimicrobial agents may be used in food to inhibit the growth of undesired microorganisms. The present study was aimed to determine the antimicrobial and antifungal activities of the fermented medicinal plants extract using Lactobacillus acidophilus ATCC 4356. The fermentation kinetic parameters, biochemical composition and the volatile compounds of the fermented plant extract was assessed. The results showed that, the fermented plants beverage exhibited high content in polyphenols, flavonoids, and tannins (152.7 mg AGE/ L; 93.6 mg RE/ L; and 62.1mg CE/ L, respectively) to compare with the extract without fermentation. The GC-MS headspace analyses showed the presence of twenty-four interesting volatile compounds. The richness of the fermented plants extracts of polyphenols content and the bioactive compound such as Eucalyptol, Camphene, α-Phellandrene, α-Terpinene improve their biological activity. In addition, the fermented plants extract exhibited a high antimicrobial potential against resistance pathogenic bacteria and fungi determined by different methods. The maximum inhibition showed in the fermented plants beverage against Escherichia coli 25922/3, Pseudomonas aeruginosa 27853 ATCC, Staphylococcus aureus 29213 ATCC, Enterococcus aerogenes 13048 ATCC, Phytophthora infestans P3 4/91 R+, Phytophthora infestans P4 20/01 R, Phytophthora infestans (GL-1). The obtained results support the hypothesis of using whey as a functional ingredient to improve food preservation. The bioprocesses of fermentation technology enhance antimicrobial and antifungal activities which could be used in different industrial applications.

scholarly journals Investigating In Vitro Antibacterial Activities of Medicinal Plants Having Folkloric Repute in Ethiopian Traditional Medicine

2019 ◽  
Vol 24 ◽  
pp. 2515690X1988627 ◽  
Author(s):  
Mekonnen Sisay ◽  
Negussie Bussa ◽  
Tigist Gashaw ◽  
Getnet Mengistu
Keyword(s):  
Antibacterial Activity ◽  
Medicinal Plants ◽  
Antimicrobial Agents ◽  
Bacterial Isolates ◽  
Zone Of Inhibition ◽  
Traditional Use ◽  
Gram Negative ◽  
E Coli ◽  
Slow Development

Medicinal plants are targeted in the search for new antimicrobial agents. Nowadays, there is an alarmingly increasing antimicrobial resistance to available agents with a very slow development of new antimicrobials. It is, therefore, necessary to extensively search for new agents based on the traditional use of herbal medicines as potential source. The antibacterial activity of 80% methanol extracts of the leaves of Verbena officinalis (Vo-80ME), Myrtus communis (Mc-80ME), and Melilotus elegans (Me-80ME) was tested against 6 bacterial isolates using agar well diffusion technique. In each extract, 3 concentrations of 10, 20, and 40 mg/well were tested for each bacterium. The minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) were also determined. Vo-80ME and Mc-80ME exhibited promising antibacterial activity against Staphylococcus aureus with the highest zone of inhibition being 18.67 and 26.16 mm, respectively at concentration of 40 mg/well. Regarding gram-negative bacteria, Vo-80ME exhibited an appreciable activity against Escherichia coli and Salmonella typhi. Mc-80ME displayed remarkable activity against all isolates including Pseudomonas aeruginosa with the maximum zone of inhibition being 22.83 mm. Me-80ME exhibited better antibacterial activity against E coli, but its secondary metabolites had little or no activity against other gram-negative isolates. The MIC values of Vo-80ME ranged from 0.16 to 4.00 mg/mL. The lowest MIC was observed in Mc-80ME, with the value being 0.032 mg/mL. Mc-80ME had bactericidal activity against all tested bacterial isolates. Mc-80ME showed remarkable zone of inhibitions in all tested bacterial isolates. Besides, Vo-80ME showed good antibacterial activity against S aureus, E coli, and S typhi. Conversely, Me-80ME has shown good activity against E coli only. Generally, M communis L and V officinalis have good MIC and MBC results.

scholarly journals Antimicrobial and anti-Quorum Sensing activities of selected medicinal plants of Ethiopia: Implication for development of potent antimicrobial agents

2016 ◽  
Vol 16 (1) ◽  
Author(s):  
Ketema Bacha ◽  
Yinebeb Tariku ◽  
Fisseha Gebreyesus ◽  
Shibru Zerihun ◽  
Ali Mohammed ◽  
...  
Keyword(s):  
Quorum Sensing ◽  
Medicinal Plants ◽  
Antimicrobial Agents

scholarly journals Antimicrobial and modulation effects of selected Ghanaian medicinal plants

2017 ◽  
Vol 36 (3) ◽  
pp. 1-7
Author(s):  
E. Ekuadzi ◽  
R. A. Dickson ◽  
T. C. Fleischer ◽  
S. O. Dapaah ◽  
E. O. Reynolds ◽  
...  
Keyword(s):  
Medicinal Plants ◽  
Plant Extracts ◽  
Antimicrobial Agents ◽  
Multidrug Resistant ◽  
Broth Microdilution ◽  
Microdilution Method ◽  
Broth Microdilution Method ◽  
Checkerboard Assay ◽  
Ethanol Extracts ◽  
Antibiotic Discovery

The alarming rise in the incidences of multidrug-resistant microorganisms and the decline innew antibiotic discovery make the search for new antimicrobial agents or efforts at restoring the activity of older antibiotics to which the microbes have developed resistance very necessary. The aim of the present study is to investigate the antimicrobial and modulation effects of the 70% ethanol extracts of Lannea schimperi, Commelina nudiflora and Piliostigma reticulatum against usceptible strains of microorganisms. Using the broth microdilution method, the minimum inhibitory concentrations (MICs) of the extracts were determined. The checkerboard assay was used to determine the modulation effects when sub-inhibitory concentrations of plant extracts were combined with the standard antibiotics. All three plants extracts possessed weak antimicrobial effects. For the modulation experiments, fifteen of the twenty-seven combinatorial casesyielded biologically significant effects. The ethanol extracts of the three plants studied here are good modulators as they reduced the MIC of ciprofloxacin and ketoconazole by factors that are comparable to that of reserpine. However the exact compounds and their exact mechanism of modulation require further investigation.Keywords: Anti-infective, modulation, Lannea schimperi, Commelina nudiflora, Piliostigmareticulatum, ethnomedicine

scholarly journals Antimicrobial activity of some Iranian medicinal plants

2010 ◽  
Vol 62 (3) ◽  
pp. 633-641 ◽  
Author(s):  
Pirbalouti Ghasemi ◽  
Parvin Jahanbazi ◽  
Shekoofeh Enteshari ◽  
Fatemeh Malekpoor ◽  
Behzad Hamedi
Keyword(s):  
Antimicrobial Activity ◽  
Medicinal Plants ◽  
Essential Oil ◽  
Antimicrobial Agents ◽  
Antimicrobial Activities ◽  
Food Preservation ◽  
Arnebia Euchroma ◽  
Agar Disc ◽  
Satureja Bachtiarica ◽  
Bacteria And Fungi

The major aim of this study was to determine the antimicrobial activity of the extracts of eight plant species which are endemic in Iran. The antimicrobial activities of the extracts of eight Iranian traditional plants, including Hypericum scabrum, Myrtus communis, Pistachia atlantica, Arnebia euchroma, Salvia hydrangea, Satureja bachtiarica, Thymus daenensis and Kelussia odoratissima, were investigated against Escherichia coli O157:H7, Bacillus cereus, Listeria monocytogenes and Candida albicans by agar disc diffusion and serial dilution assays. Most of the extracts showed a relatively high antimicrobial activity against all the tested bacteria and fungi. Of the plants studied, the most active extracts were those obtained from the essential oils of M. communis and T. daenensis. The MIC values for active extract and essential oil ranged between 0.039 and 10 mg/ml. It can be said that the extract and essential oil of some medicinal plants could be used as natural antimicrobial agents in food preservation. .

scholarly journals Evaluation of antimicrobial activity of three important medicinal plants of South India

2019 ◽  
Vol 8 (1) ◽  
pp. 3484
Author(s):  
Gopalakrishnaiah B. ◽  
Aniel Kumar O.
Keyword(s):  
Antimicrobial Activity ◽  
Medicinal Plants ◽  
Pathogenic Bacteria ◽  
Antimicrobial Agents ◽  
Antimicrobial Properties ◽  
Development Program ◽  
Antimicrobial Effect ◽  
Trichophyton Mentagrophytes ◽  
Crude Extracts ◽  
The World

India is found to be a country with rich biodiversity and enormous treasure of herbal plants and consequently called as medicinal garden of the world. Plants are the richest source of natural antimicrobial agents. In recent years drug resistance to human pathogenic bacteria has been commonly reported from all over the world. Therefore, there is a need to develop alternative antimicrobial drugs for the treatment of infectious diseases; one approach is to screen local medicinal plants for possible antimicrobial properties. The present study was designed to evaluate the antimicrobial efficacy of hexane, chloroform and methanol crude extracts of the leaves of three important medicinal plants viz., Biophytum sensitivum (L.) DC, Bougainvillea spectabilis L. and Caesalpinia bonducella (L.) Fleming, collected from in and around Visakhapatnam District. The antimicrobial activity of the crude extracts was tested against three Gram Positive bacteria (Bacillus subtilis MTCC 441, Enterococcus faecalis MTCC 439, Staphylococcus aureus MTCC 737), Three Gram Negative bacteria (Escherichia coli MTCC 443, Proteus vulgaris MTCC 426 and Pseudomonas aeruginosa MTCC 1688) and three Fungal strains (Candida albicans MTCC 227, Epidermophyton floccosum MTCC 613 and Trichophyton mentagrophytes MTCC 7687) using agar well diffusion assay. Our results demonstrated that methanol extracts of these plants leaves have concentration dependent antibacterial activity against some of the tested organisms. Further studies should be undertaken to elucidate the exact mechanism of action of antimicrobial effect to identify the active ingredients which can be used for drug development program.

scholarly journals Structure-based virtual screening and molecular dynamics of phytochemicals derived from Saudi medicinal plants to identify potential COVID-19 therapeutics

2020 ◽  
Vol 13 (9) ◽  
pp. 7224-7234
Author(s):  
Mubarak A. Alamri ◽  
Ali Altharawi ◽  
Alhumaidi B. Alabbas ◽  
Manal A. Alossaimi ◽  
Safar M. Alqahtani
Keyword(s):  
Molecular Dynamics ◽  
Virtual Screening ◽  
Medicinal Plants
Sign in / Sign up

Export Citation Format

Share Document