Antibacterial prophylaxis and molecular docking studies of ketone and ester compounds isolated from
            <i>Cyperus rotundus</i>
            L. against
            <i>Aeromonas veronii</i>

Chakraborty, Nabanita; Das, Basanta Kumar; Das, A. K.; Manna, R. K.; Chakraborty, Hirak Jyoti; Mandal, Biplab; Bhattacharjya, B. K.; Raut, Subhashree Subhasmita

doi:10.1111/are.15670

Cited by 3 publications

(5 citation statements)

References 57 publications

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“…These bioactive compounds can attach to particular sites on the toxin and prevent it from building huge complexes that can damage host cells. This kind of in vitro approach is beneficial in decreasing aerolysin toxicity [111]. Our docking studies showed that the key residues of the aerolysin protein's binding pocket, such as Tyr 337, Arg 417, Arg 414, and Tyr 135 interacted with pentanone-5-methoxy via traditional hydrogen bonding and hydrophobic interactions [112].…”

Section: Discussionmentioning

confidence: 91%

Evaluating Biofilm Inhibitory Potential in Fish Pathogen, Aeromonas hydrophila by Agricultural Waste Extracts and Assessment of Aerolysin Inhibitors Using In Silico Approach

et al. 2023

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Aeromonas hydrophila, an opportunistic bacteria, causes several devastating diseases in humans and animals, particularly aquatic species. Antibiotics have been constrained by the rise of antibiotic resistance caused by drug overuse. Therefore, new strategies are required to prevent appropriate antibiotic inability from antibiotic-resistant strains. Aerolysin is essential for A. hydrophila pathogenesis and has been proposed as a potential target for inventing drugs with anti-virulence properties. It is a unique method of disease prevention in fish to block the quorum-sensing mechanism of A. hydrophila. In SEM analysis, the crude solvent extracts of both groundnut shells and black gram pods exhibited a reduction of aerolysin formation and biofilm matrix formation by blocking the QS in A. hydrophila. Morphological changes were identified in the extracts treated bacterial cells. Furthermore, in previous studies, 34 ligands were identified with potential antibacterial metabolites from agricultural wastes, groundnut shells, and black gram pods using a literature survey. Twelve potent metabolites showed interactions between aerolysin and metabolites during molecular docking analysis, in that H-Pyran-4-one-2,3 dihydro-3,5 dihydroxy-6-methyl (−5.3 kcal/mol) and 2-Hexyldecanoic acid (−5.2 kcal/mol) showed promising results with potential hydrogen bond interactions with aerolysin. These metabolites showed a better binding affinity with aerolysin for 100 ns in molecular simulation dynamics. These findings point to a novel strategy for developing drugs using metabolites from agricultural wastes that may be feasible pharmacological solutions for treating A. hydrophila infections for the betterment of aquaculture.

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Section: Discussionmentioning

confidence: 91%

Evaluating Biofilm Inhibitory Potential in Fish Pathogen, Aeromonas hydrophila by Agricultural Waste Extracts and Assessment of Aerolysin Inhibitors Using In Silico Approach

et al. 2023

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“…Molecular screening of Patchouli oil ( Pogostemon cablin (Blanco) Benth.) to evaluate the antibacterial activity; [27] antimicrobial efficacy screening of few phytochemical ligands (thymol, carvacrol, and cinnamaldehyde) against Escherichia coli ; [10] antimicrobial screening of compounds isolated from Cyperus rotundus L. against Aeromonas veronii ; [11] molecular screening of essential oil components of Trachyaspermum ammi against the fungal enzyme Candidapepsin‐1; [28] screening out probable inhibitors of trehalose‐6‐phosphate phosphatases of pathogenic microbes from phytochemicals of 5 plant sources ( Aegle marmelos , Ocimum basilicum , Ribes nigrum , Carica papaya and Costus pictus ); [29] to identify some potential drug‐like molecules present in a polyherbal preparation containing Azadirachta indica , Lawsonia alba , and Shorea robusta that can inhibit important drug targets of the dermatophytes [30] were conducted applying biological experimentation and/or molecular docking methods. Molecules based on their binding energy to protein(s) and their concentrations in the extracts were attributed the respective efficacy of a plant extract.…”

Section: Resultsmentioning

confidence: 99%

“…Such studies result in the development of novel drug molecules at a faster pace and reduced cost. In silico molecular docking of phytochemicals for understanding their bioefficacy in disease control including fish diseases is well documented in literature [9–11] …”

Section: Introductionmentioning

confidence: 99%

“…In silico molecular docking of phytochemicals for understanding their bioefficacy in disease control including fish diseases is well documented in literature. [9][10][11] In the present investigation, essential oil isolated from leaves of Cymbopogon flexuosus belonging to Poaceae grass family was studied both by, in vitro experimentation and computationally for its antibacterial efficacy against A. hydrophila and compared with conventional antibiotic, oxytetracycline (OTC). Three pathogenic strains of A. hydrophila of fishes from different geographical locations of India were screened for their sensitivity and resistance pattern against OTC.…”

Section: Introductionmentioning

confidence: 99%

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In Vitro Antibacterial Efficacy of Cymbopogon flexuosus Essential Oil against Aeromonas hydrophila of Fish Origin and in Silico Molecular Docking of the Essential Oil Components against DNA Gyrase‐B and Their Drug‐Likeness

Chowdhury

Bera

Raut

et al. 2023

Chemistry & Biodiversity

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In aquaculture, diseases caused by the Aeromonads with high antibiotic resistance are among the most common and troublesome diseases. Application of herbs is emerging as a tool in controlling these diseases. Plant extracts besides disease control, favor various physiological activities in fish. In this study, essential oil of Cymbopogon flexuosus (Poaceae family) was studied in vitro for its antibacterial efficacy against two oxytetracycline (OTC) resistant and one sensitive strains of Aeromonas hydrophila. The oil was found rich (86.93 %) in oxygenated terpenoids containing 74.15 % of citral. The oil exhibited dose dependent growth inhibition of the bacteria. Mean MIC value of the oil against the sensitive strain was recorded as 2.0 mg mL À 1 whereas MBC value was recorded as 4.0 mg mL À 1 . The oil was found effective against the OTC resistant isolates with the MIC and MBC values ranging from 2.67 -3.33 and 4.0 -6.67 mg mL À 1 , respectively. In silico molecular docking of the essential oil components against DNA gyrase-B, a vital macromolecule in bacterial cell, was carried out to computationally asses the efficacy of the oil against the bacteria. Some of the components of the essential oil strongly bonded with the enzyme to inhibit its efficacy. Binding energy of some components of the oil was comparable to that of the conventional antibiotic, OTC. The identified phytochemicals exhibited favorable physicochemical and pharmacokinetic properties and satisfied the rule of five (Ro5).

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“…Because of the incorporation of additional nanomaterials, they are more effective and versatile than single-type nanomaterials. Hybrid nanomaterials are created when two or more nanoparticle types are combined, such as carbon-based, metal, or polymeric nanoparticles [ 44 ]. Consequently, as a result of their improved biocompatibility, they are increasingly employed in biological applications such as agriculture, medicine, and medication delivery [ 45 ].…”

Section: Nanomaterials Synthesismentioning

confidence: 99%

Nano-Biofertilizer Formulations for Agriculture: A Systematic Review on Recent Advances and Prospective Applications

Garg,

Sridhar,

Stephen Inbaraj

et al. 2023

Bioengineering

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In the twenty-first century, nanotechnology has emerged as a potentially game-changing innovation. Essential minerals are mostly unavailable in modern cropping systems without the application of synthetic fertilizers, which have a serious negative impact on the ecosystem. This review focuses on the coupling of nanoparticles with biofertilizers to function as nano-biofertilizers (NBFs), which may ensure world food security in the face of the rising population. The inoculation of plants with NBFs improves plant development and resistance to stress. Metallic nanoparticles as well as organic components comprising polysaccharide and chitosan may be encapsulated, utilizing microbe-based green synthesis to make NBFs, which circumvents the limitations of conventional chemical fertilizers. The application of NBFs is just getting started, and shows more promise than other approaches for changing conventional farming into high-tech “smart” farming. This study used bibliographic analysis using Web of Science to find relevant papers on “nano biofertilizers”, “plants”, and “agriculture”. These subjects have received a lot of attention in the literature, as shown by the co-citation patterns of these publications. The novel use of nanotechnology in agriculture is explored in this research work, which makes use of the unique characteristics of nanoscale materials to address urgent concerns including nutrient delivery, crop protection, and sustainable farming methods. This study attempts to fill in some of the gaps in our knowledge by discussing the formulation, fabrication, and characterization of NBFs, as well as elucidating the mechanisms by which NBFs interact with plants and how this benefits the ability of the plant to withstand biotic and abiotic stress brought about by climate change. This review also addresses recent developments and future directions in farming using NBF formulations in the field.

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Antibacterial prophylaxis and molecular docking studies of ketone and ester compounds isolated from Cyperus rotundus L. against Aeromonas veronii

Cited by 3 publications

References 57 publications

Evaluating Biofilm Inhibitory Potential in Fish Pathogen, Aeromonas hydrophila by Agricultural Waste Extracts and Assessment of Aerolysin Inhibitors Using In Silico Approach

Evaluating Biofilm Inhibitory Potential in Fish Pathogen, Aeromonas hydrophila by Agricultural Waste Extracts and Assessment of Aerolysin Inhibitors Using In Silico Approach

In Vitro Antibacterial Efficacy of Cymbopogon flexuosus Essential Oil against Aeromonas hydrophila of Fish Origin and in Silico Molecular Docking of the Essential Oil Components against DNA Gyrase‐B and Their Drug‐Likeness

Nano-Biofertilizer Formulations for Agriculture: A Systematic Review on Recent Advances and Prospective Applications

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