GC-MS analysis and in silico assessment of constituents of Psidium guajava leaf extract against DNA gyrase of Salmonella enterica serovar Typhi

Adetutu, Adewale; Olaniyi, Temitope Deborah; Owoade, Abiodun Olusoji

doi:10.1016/j.imu.2021.100722

Cited by 13 publications

(9 citation statements)

References 23 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Better interactions of the compounds with SdiA (− 6.20 kcal/mol for Benzeneethanamine, 4methoxy-and − 7.70 kcal/mol for Cyclopentadecanone, 2-hydroxy-) relative to ciprofloxacin (− 4.30 kcal/mol) indicate that they fit well into the binding pockets of the protein and makes them promising S. Typhi QS inhibitors as inactivation of the processed AI receptors has been proven to reduce virulence in some pathogenic bacteria [45,48]. Interestingly Cyclopentadecanone, 2-hydroxyhas been previously reported to inhibit DNA gyrase, another important protein involved in the replication of S. Typhi [2]. Thus, Cyclopentadecanone, 2-hydroxy-, and Benzeneethanamine, 4-methoxy-are being considered for lead optimization.…”

Section: Discussionmentioning

confidence: 98%

“…The ligands are compounds previously identified in the methanol extract of P. guajava leaves [2]. All seventy-two identified compounds were considered and coded 1-72.…”

Section: Ligands Preparationmentioning

confidence: 99%

“…These include (1) Low diffusion of antibiotics across the extracellular matrix resulting in low intracellular concentration of antibiotic(s). This is due to the presence of glycocalyx, an integral part of bacterial biofilm that accumulates antimicrobial substances and limits the transportation to the organisms within the colony [38], (2) phenotypic and physiological changes due to slow growth rate and starvation responses (oxygen, nutrient deprivation or environmental stress-antibiotics are not active against dormant cells; (3) the expression of efflux pumps (EP) that decrease intracellular antimicrobial concentration; (4) the emergence of persister cells, a biofilmspecific phenotype which are multi drug-tolerant cells that have not acquired genetic resistance [4,7,13,14], Soto et al [39]; (5) alteration in gene expression and (6) increase in horizontal transmission of resistance elements (Koopman et al, [25]). S. enterica is known to form biofilms on both living and non-living surfaces [19].…”

Section: Introductionmentioning

confidence: 99%

“…Methanol extract of P. guajava leaves has also been confirmed to possess antibacterial and anti-biofilm activities against S. Typhi [1]. Previously, we identified the phyto-compounds in the methanol extract of P. guajava leaves and their interactions with a protein involved in replication of S. Typhi [2]. In this study, we investigate the interaction between those compounds and key proteins involved in QS in the typhoid bacteria to identify molecules that could be investigated further in the quest for a new drug for tackling typhoid fever.…”

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

In silico anti-quorum sensing activities of phytocompounds of Psidium guajava in Salmonella enterica serovar Typhi

Olaniyi

Adetutu

2023

J.Umm Al-Qura Univ. Appll. Sci.

Self Cite

View full text Add to dashboard Cite

Biofilm contributes hugely to the persistence of typhoid fever in human population and quorum sensing (QS) is an integral mechanism involved in biofilms. Interruption of the QS network has therefore been put forward as one of the important anti-virulence strategies. Methanol extract of Psidium guajava leaves has been confirmed to possess antibacterial and anti-biofilm activities against Salmonella Typhi. This study therefore aimed at investigating the interactions of phytocompounds previously identified in the extract with selected QS proteins of S. Typhi in silico. Appropriate formats of compounds were retrieved and translated using online web servers. Quantitative estimate of drug-likeness, as well as absorption, distribution, metabolism, excretion and toxicity profiles of the compounds, were assessed on ADMETlab 2.0. Three-dimensional structures of two QS proteins of S. Typhi were obtained from Protein Data Bank while others were modelled on SWISS-MODEL. Selected compounds (ligands) were docked with the four proteins via AutoDock 1.5.6 and analyzed on Discovery studio. Eight, out of the seventy-two, phyto-compounds of methanol extract of P. guajava possess desirable drug-likeness (QED > 0.67). Three of them have toxic characteristics and thus, were removed from further consideration. Molecular docking revealed that, of the 5 ligands docked against the proteins, only Benzeneethanamine, 4-methoxy- and Cyclopentadecanone, 2-hydroxy- had affinities for the proteins of interest. The affinity of Cyclopenftadecanone,2-hydroxy- for each of the proteins is higher than that of Benzeneethanamine,4-methoxy- with hydrogen bonds contributing significantly to the interactions. Benzeneethanamine, 4-methoxy- and Cyclopentadecanone,2-hydroxy- from Psidium guajava leaves possess inhibitory properties against QS proteins of S. Typhi.

show abstract

Section: Discussionmentioning

confidence: 98%

“…The ligands are compounds previously identified in the methanol extract of P. guajava leaves [2]. All seventy-two identified compounds were considered and coded 1-72.…”

Section: Ligands Preparationmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

In silico anti-quorum sensing activities of phytocompounds of Psidium guajava in Salmonella enterica serovar Typhi

Olaniyi

Adetutu

2023

J.Umm Al-Qura Univ. Appll. Sci.

Self Cite

View full text Add to dashboard Cite

show abstract

“…guajava, Pogostemon quadrifolius, and many other medicinal plants with different biological activities [70][71][72]. In a recent study, the pyran compound was reported to act against Salmonella enterica serovar Typhi [73]. The compound dimethyl diphenyl tethylidyl pyrrolidine from Planococcus sp was effective against several pathogenic bacteria such as Porphyromonas gingivalis, S. aureus, S. pyrogenes and E. coli and antifungal activity against Aspergillus niger, Candida albicans and Aspergillus clavatus [74,75].…”

Section: Discussionmentioning

confidence: 99%

Anticancer and antibacterial activities of secondary bioactive compounds from endosymbiotic bacteria of aphid and their surrounding organisms (Predator and protector)

Alsufyani

Al-Otaibi

Alotaibi

et al. 2022

Preprint

View full text Add to dashboard Cite

Secondary metabolites of bacterial origin are a valuable source of diverse molecules with antibacterial and anticancer activities. In the current study, 10 endosymbiotic bacteria were isolated from aphids, aphid predators and ants. Bacterial strains were identified based on the 16S rRNA gene. Crude extracts were prepared from each isolated bacteria and tested for their antibacterial activities using the disk diffusion method. The extracts of three bacterial species;Planococcussp,Klebsiella aerogenes, Enterococcus aviumfromAphis punicae, Chrysoperia carneaandTapinoma magnum, respectively were found to have strong antibacterial activities against one or more of the five pathogenic bacteria tested. The inhibition zones ranged from 10.00± 0.13 to 20.00± 1.11mm with minimum inhibitory concentration (MIC) values ranged from 0.156 mg/mL to 1.25 mg/mL. The notable antibacterial activity was for the crude extract ofK. aerogenesagainstKlebsiella pneumoniaandEscherichia coliat MIC value of 0.156 mg/mL. The cytotoxic activity of the crude extracts varied according to the tested cell line. The most cytotoxic effect was for the extracts ofK. aerogenesandE. aviumat a concentration of 0.16 mg/mL against lung carcinoma epithelial cells (A549) with cell reduction of 79.4% and 67.2%, respectively. Crude extracts ofK. aerogenesandPantoea agglomeransat a concentration of 0.16 mg/mL showed 69.4% and 67.8% cell reduction against human colon cancer (Hct116), respectively. Gas chromatography–mass spectrometry (GC-MS) analysis of three crude extracts revealed the presence of several bioactive secondary metabolites that have been reported previously to possess antibacterial and anticancer properties. To the best of our knowledge, this is the first study to report the biological activities of endosymbiotic bacteria from aphids, aphid predators and ants. The promising data presented in this study opens a new avenue for alternative drugs to overcome the continuous emergence of multidrug-resistant bacteria and to find alternative drugs for traditional cancer therapies.

show abstract

Mechanism of antibacterial action of n-hexane and ethyl acetate soluble fractions of Psidium guajava leaves against Salmonella enterica serovar Typhi

2023

View full text Add to dashboard Cite

GC-MS analysis and in silico assessment of constituents of Psidium guajava leaf extract against DNA gyrase of Salmonella enterica serovar Typhi

Cited by 13 publications

References 23 publications

In silico anti-quorum sensing activities of phytocompounds of Psidium guajava in Salmonella enterica serovar Typhi

In silico anti-quorum sensing activities of phytocompounds of Psidium guajava in Salmonella enterica serovar Typhi

Anticancer and antibacterial activities of secondary bioactive compounds from endosymbiotic bacteria of aphid and their surrounding organisms (Predator and protector)

Mechanism of antibacterial action of n-hexane and ethyl acetate soluble fractions of Psidium guajava leaves against Salmonella enterica serovar Typhi

Contact Info

Product

Resources

About