In-silico investigation of antibacterial herbal compounds in order to find new antibiotic against Staphylococcus aureus and its resistant subtypes

Dorcheh, Fatemeh Abedi; Balmeh, Negar; Sanjari, Sahar

doi:10.1016/j.imu.2021.100843

Cited by 12 publications

(5 citation statements)

References 43 publications

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“…Its isolates are more frequently associated with mortality than infections caused by other bacteria [ 3 ]. MRSA responds to some current antibiotics, but these effects may not last long due to the constant mutations of this strain [ 5 ]. Bacterial biofilms contribute to >80% of all infections in humans [ 3 ].…”

Section: Introductionmentioning

confidence: 99%

“…This is related to the pronounced antimicrobial effect [ 14 ] mainly of their major secondary metabolites, the phloroglucinols, e.g., polycyclic polyprenylated acylphloroglucinols (PPAPs) such as hyperforin, the main antibacterial principle in H. perforatum [ 15 , 16 , 17 , 18 , 19 , 20 , 21 , 22 ]. In some cases, naphtodianthrones (hypericins) also exert an antibacterial effect [ 5 , 23 , 24 ], as well as benzopyrans [ 25 ], xanthones [ 26 ], etc.…”

Section: Introductionmentioning

confidence: 99%

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Outstanding Antibacterial Activity of Hypericum rochelii—Comparison of the Antimicrobial Effects of Extracts and Fractions from Four Hypericum Species Growing in Bulgaria with a Focus on Prenylated Phloroglucinols

Ilieva

Marinov

Trayanov

et al. 2023

Life

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Microbial infections are by no means a health problem from a past era due to the increasing antimicrobial resistance of infectious strains. Medicine is in constant need of new drugs and, recently, plant products have had a deserved renaissance and garnered scientific recognition. The aim of this work was to assess the antimicrobial activity of ten active ingredients from four Hypericum species growing in Bulgaria, as well as to obtain preliminary data on the phytochemical composition of the most promising samples. Extracts and fractions from H. rochelii Griseb. ex Schenk, H. hirsutum L., H. barbatum Jacq. and H. rumeliacum Boiss. obtained with conventional or supercritical CO2 extraction were tested on a panel of pathogenic microorganisms using broth microdilution, agar plates, dehydrogenase activity and biofilm assays. The panel of samples showed from weak to extraordinary antibacterial effects. Three of them (from H. rochelii and H. hirsutum) had minimum inhibitory concentrations as low as 0.625–78 mg/L and minimum bactericidal concentrations of 19.5–625 mg/L against Staphylococcus aureus and other Gram-positive bacteria. These values placed these samples among the best antibacterial extracts from the Hypericum genus. Some of the agents also demonstrated very high antibiofilm activity against methicillin-resistant S. aureus. Ultra-high-performance liquid chromatography–high-resolution mass spectrometry revealed the three most potent samples as rich sources of biologically active phloroglucinols. They were shown to be good drug or nutraceutical candidates, presumably without some of the side effects of conventional antibiotics.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Outstanding Antibacterial Activity of Hypericum rochelii—Comparison of the Antimicrobial Effects of Extracts and Fractions from Four Hypericum Species Growing in Bulgaria with a Focus on Prenylated Phloroglucinols

Ilieva

Marinov

Trayanov

et al. 2023

Life

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“…In contrast, berberine and oxacillin exhibited only partial synergism in this study (Table 1). In addition, it has been suggested that berberine binds to PBP2a, a protein that confers resistance to oxacillin [47]. Therefore, molecular docking simulations of berberine were performed using the PBP2a protein (PDB code: 4CJN) in a previous study [48] and the PBP2a protein from S. aureus ATCC 33593 (Supplementary Materials, Figure S3).…”

Section: Berberine Interacts With Efflux Pump Proteins and The Protei...mentioning

confidence: 99%

Enhanced Efficacy of Ciprofloxacin and Tobramycin against Staphylococcus aureus When Combined with Corydalis Tuber and Berberine through Efflux Pump Inhibition

Seo,

Kim,

Kim

2024

Antibiotics

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One way that bacteria develop antibiotic resistance is by reducing intracellular antibiotic concentrations through efflux pumps. Therefore, enhancing the efficacy of antibiotics using efflux pump inhibitors provides a way to overcome this type of resistance. Notably, an increasing number of pathogenic Staphylococcus aureus strains have efflux pump genes. In this study, the extract from Corydalis ternata Nakai tuber (Corydalis Tuber) at 512 mg/L was demonstrated to have an antibiotic synergistic effect with ciprofloxacin at 2 mg/L and tobramycin at 1024 mg/L against methicillin-resistant S. aureus (MRSA). Berberine, an isoquinoline alkaloid identified in Corydalis Tuber, was identified as contributing to this effect. Ethidium bromide efflux pump activity assays showed that Corydalis Tuber extract and berberine inhibited efflux, suggesting that they are efflux pump inhibitors. Molecular docking simulations suggested that berberine binds to S. aureus efflux pump proteins MepA, NorA, NorB, and SdrM. Additionally, berberine and Corydalis Tuber extract inhibit biofilm formation, which can confer antibiotic resistance. This study’s findings suggest that Corydalis Tuber, a traditional herbal medicine, and berberine, a medicinal supplement, act as S. aureus efflux pump inhibitors, synergistically increasing the efficacy of ciprofloxacin and tobramycin and showing promise as a treatment for antibiotic-resistant S. aureus infections, including MRSA.

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“…Since it was established that COVID-19 infection could still occur in people even in the presence of the vaccine. 33 To find inhibitors of SARS-CoV-2 that aim at particular protein targets. Thirteen putative protein targets were found after a thorough literature review.…”

Section: Drug Discoverymentioning

confidence: 99%

Unlocking the Potential of In-silico Approaches: Drug Development and Vaccine Design

Nikam,

Kumar,

Gunjal

et al. 2023

IJDDT

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Unmatched in its field, bioinformatics combines several academic fields such as statistics, computer science, mathematics, and biology to create state-of-the-art techniques for biological data retrieval, storage, and analysis that lead to a thorough understanding of the biological world. Countless options currently accessible in field of living sciences by the expansion of in-silico biology. Paradigm of life sciences has changed as a result of in-silico technologies, which offer researchers a valuable and affordable way to focus on in-silico techniques like homology modeling, epitope prediction, and molecular docking, which have impacted drug discovery and vaccine design. These techniques also provide previously unheard-of predictions and insights.

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In-silico investigation of antibacterial herbal compounds in order to find new antibiotic against Staphylococcus aureus and its resistant subtypes

Cited by 12 publications

References 43 publications

Outstanding Antibacterial Activity of Hypericum rochelii—Comparison of the Antimicrobial Effects of Extracts and Fractions from Four Hypericum Species Growing in Bulgaria with a Focus on Prenylated Phloroglucinols

Outstanding Antibacterial Activity of Hypericum rochelii—Comparison of the Antimicrobial Effects of Extracts and Fractions from Four Hypericum Species Growing in Bulgaria with a Focus on Prenylated Phloroglucinols

Enhanced Efficacy of Ciprofloxacin and Tobramycin against Staphylococcus aureus When Combined with Corydalis Tuber and Berberine through Efflux Pump Inhibition

Unlocking the Potential of In-silico Approaches: Drug Development and Vaccine Design

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