In vitro bactericidal activity of promising nutraceuticals for targeting multidrug resistant Pseudomonas aeruginosa

Chakotiya, Ankita Singh; Chawla, Raman; Thakur, Pooja; Tanwar, Ankit; Narula, Alka; Grover, Shyam Sunder; Goel, Rajeev K.; Arora, Rajesh; Sharma, Rakesh Kumar

doi:10.1016/j.nut.2016.01.024

Cited by 28 publications

(24 citation statements)

References 24 publications

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“…Although natural products derived from phytochemicals contain many hydrophobic bioactive materials that may serve as pharmaceuticals or functional foods, the low absorption via oral administration is cause for concern regarding the application of hydrophobic bioactive materials as supplements, due to their poor solubility or dispersibility in water (Si and Liu, 2014). For instance, hydrophobic components extracted from glycyrrhiza with an organic solvent have various biological activities such as antioxidant, antibacterial, and antiallergic effects (Chakotiya et al, 2016). Because it is difficult to disperse these hydrophobic compounds in water, the application of these substances to the development of nutritional supplements such as functional foods and drinks has been limited (Panza et al, 2015).…”

Section: Introductionmentioning

confidence: 99%

Preparation of a Highly Water-dispersible Powder Containing Hydrophobic Polyphenols Derived from Chrysanthemum Flower with Xanthine Oxidase-inhibitory Activity

Kadota

Hashimoto

Yamaguchi

et al. 2018

FSTR

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We aimed to develop a highly water-dispersible dry powder of hydrophobic polyphenols derived from chrysanthemum flower. A dry powder resulting from the mixture of an ethanolic extract of chrysanthemum flower (CF) with transglycosylated rutin (rutin-G) and sucrose fatty acid esters (SEs) was successfully formulated. This powder dispersed easily in water, and the mean particle size in water remained at ~150 nm without apparent changes even after one-week storage. Furthermore, the particle size of the dispersed powder prepared by heat-and-acid treatment shifted below 100 nm after one-week storage. The xanthine oxidase-inhibitory activity of the resulting CF-rutin-G-SEs powder was almost equivalent to that of chrysanthemum flower oil according to in vitro analysis. This technique for preparing a highly water-dispersible dry powder from natural products containing hydrophobic polyphenols should be applicable to the development of functional food products.

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Section: Introductionmentioning

confidence: 99%

Preparation of a Highly Water-dispersible Powder Containing Hydrophobic Polyphenols Derived from Chrysanthemum Flower with Xanthine Oxidase-inhibitory Activity

Kadota

Hashimoto

Yamaguchi

et al. 2018

FSTR

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“…The hydrogenated ligand molecules were then converted into pdb format using Open Babel (2.4) interface (openbabel.org/docs/dev/OpenBabel.pdf), as required for rigid docking. Similarly, 3D structure of standard chemotherapeutic agent (hydroxychloroquine) was also customized for docking (Modi et al, 2013;Chakotiya et al, 2014).…”

Section: Selection and Preparation Of Herbals As Promising Anti-sars-mentioning

confidence: 99%

“…Predominant phytocompounds of the selected herbs were also identified by literature surge and the respective chemical structures were retrieved from PubChem database (Chakotiya et al, 2014).…”

Section: Selection Of Herbals As Promising Anti-sars-cov-2 Candidatesmentioning

confidence: 99%

Computational screening approaches for investigating potential activity of phytoligands against SARS-CoV-2

Balkrishna

Thakur

Singh

et al. 2020

Preprint

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Objective: SARS-CoV-2 causes COVID-19, a life-threatening respiratory illness with high rates of morbidity and mortality. As on date, there is no specific medicine to prevent or treat COVID-19. Therefore, there is an acute need to identify evidence-based holistic and safe mitigators.Methods: The present study is aimed to screen ligands of herbal origin using rationale based bioprospection analysis and subsequently predict their binding potential subdue the major drug targets for novel Coronavirus by employing computer-aided virtual screening. Further, comparative analysis of the binding potential of an approved chemical analogue and selected herbal ligands were also predicted. The selection of receptors was performed based on their pathophysiological relevance, as assessed by a PubMed based keyword hits matrix analysis. The drug likeliness and ADMETox descriptors of 24 herbal ligands were computationally predicted. Docking studies were further conducted with those phytoligands that qualified these parameters. An existing antimalarial drug, hydroxychloroquine, was also docked with all the selected viral receptors and its theoretical binding energy was set up as a standard for comparison as well as scrutinization of binding energies of the phytoligands. Results: The docking studies suggested that the herbal ligand, namely, gamma-glutamyl-S-allylcysteine demonstrated highly significant binding energies with viral spike glycoprotein, endoribonuclease and main protease (binding energy ≥ -490 kcal/mol for all the tested viral receptors).Conclusion: Gamma-glutamyl-S-allylcysteine demonstrated more significant binding potential as compared to the known chemical analogue, i.e., hydroxychloroquine, as observed in the computational docking studies. This study serves to present pre-eminent information for further clinical studies highlighting the utility of herbal ligands as probable lead molecules for mitigating novel Coronavirus infection.

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“…Chemotherapeutic Marker Drugs Angiotensin converting enzyme 2 (PDb ID: 1R42; native human angiotensin enzyme-related carboxypeptidase) 33 were studied in silico by downloading their structures from RCSb Protein Data bank, Serine protease hepsin (TMPRSS2) 2-{5-[Amino(Iminio)Methyl]-1H-benzimidazol-2-yl}benzenolate (PDb ID: 1P57; Extracellular Domain of Hepsin) was downloaded from Protein Data bank Japan 34 , SARS-CoV-2 Spike ectodomain structure (PDb ID: 6Vyb) was retrieved from RCSb Protein Data bank 35 . Structures of the phytochemicals of Z. officinale namely Zingiberene (PubChem CID: 92776), Zingerone (PubChem CID: 31211), Shoagol (PubChem CID: 5281794), Gingerenone (PubChem CID: 5281775), 1-Dehydro-6-gingerdione (PubChem CID: 139031793), and Gingerol (PubChem CID: 442793) were obtained from Pubchem.…”

Section: Host-viral Proteins Phytochemicals Andmentioning

confidence: 99%

Phytoconstituents of Zingiber officinale Targeting Host viral Protein Interaction at Entry Point of SARS CoV 2 A Molecular Docking Study

Sharma

Chakotiya

2020

Def. Life. Sc. Jl.

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Current COVID 19 outbreak is a critical issue in safeguarding public health worldwide. The lack of prophylactic drugs, vaccine and effective antiviral and other supporting therapies has prompted researchers to look for promising leads against the virus. Metabolic pathways and biochemicals involved in pathophysiology of SARS-CoV-2 can be targeted to find out effective inhibitor molecules acting at the entry point of infection. SARS-CoV-2 uses their Spike protein to dock at ACE2 and the serine protease, TMPRSS2 of host cell for Spike protein priming to get entry into the host cell. In the present study phytochemicals from Zingiber officinale were evaluated to find their binding with these proteins by conducting ligand-receptor binding docking study with AutoDockVina. The structures were observed by visualizing softwares Pymol to determine unique amino acids of receptor proteins. Physicochemical properties of phytochemicals and chemotherapeutic markers were assessed with Molinspiration tool. Docking study revealed that Gingerenone (-5.87 kcal/mol) and Zingiberene (-5.77 kcal/mol) have shown effective binding affinity towards ACE2. Shoagol (-5.72 kcal/mol), Zingerone (-5.79 kcal/mol) and Zingiberene (-5.52 kcal/mol) have shown higher binding with extracellular domain of serine protease TMPRSS2. Zingiberene scored significant binding energy of -6.23 kcal/mol with Spike protein of SARS-CoV-2. This study provides an evidence base to the experiential learning about use of Zingiber officinale in microbial infections. Once further validated, it may lead to development of herbal based anti-viral adjuvants.

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In vitro bactericidal activity of promising nutraceuticals for targeting multidrug resistant Pseudomonas aeruginosa

Cited by 28 publications

References 24 publications

Preparation of a Highly Water-dispersible Powder Containing Hydrophobic Polyphenols Derived from Chrysanthemum Flower with Xanthine Oxidase-inhibitory Activity

Preparation of a Highly Water-dispersible Powder Containing Hydrophobic Polyphenols Derived from Chrysanthemum Flower with Xanthine Oxidase-inhibitory Activity

Computational screening approaches for investigating potential activity of phytoligands against SARS-CoV-2

Phytoconstituents of Zingiber officinale Targeting Host viral Protein Interaction at Entry Point of SARS CoV 2 A Molecular Docking Study

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