Exploration of interaction mechanism of tyrosol as a potent anti-inflammatory agent

Yadav, Tara Chand; Kumar, Naresh; Raj, Utkarsh; Goel, Nidhi; Vardawaj, Pritish Kumar; Prasad, Ramasare; Pruthi, Vikas

doi:10.1080/07391102.2019.1575283

Cited by 35 publications

(27 citation statements)

References 70 publications

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“…The protein and bioactive compounds were prepared using optimized potential for liquid simulations (OPLS) force field and three steps of docking were implemented using GLIDE Schrodinger, LLC, New York, NY, 2014 [ 26 , 27 ]. The binding affinity of protein-inhibitor complexes were estimated using Prime MM-GBSA module [ 20 , 28 ].…”

Section: Methodsmentioning

confidence: 99%

“…(Bhumi amla) and Tinospora cordifolia (Giloy) are important medicinal plants native to India and are widely used in many ayurvedic formulations for treating several diseases [ [16] , [17] ]. The bioactive compounds of these medicinal plants can act as immunomodulators and reduce cytokine storm against viral infections [ [18] , [19] , [20] ]. The present study was aimed to perform computational screening against the SARS-CoV-2 main protease (COVID-19 M pro ) using amla, bhumi amla and giloy derived bioactives.…”

Section: Introductionmentioning

confidence: 99%

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Targeting COVID-19 (SARS-CoV-2) main protease through active phytocompounds of ayurvedic medicinal plants – Emblica officinalis (Amla), Phyllanthus niruri Linn. (Bhumi Amla) and Tinospora cordifolia (Giloy) – A molecular docking and simulation study

Murugesan

Kottekad

Crasta

et al. 2021

Computers in Biology and Medicine

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Coronavirus Disease-2019 (COVID-19), a viral disease caused by severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) was declared a global pandemic by WHO in 2020. In this scenario, SARS-CoV-2 main protease (COVID-19 M pro ), an enzyme mainly involved in viral replication and transcription is identified as a crucial target for drug discovery. Traditionally used medicinal plants contain a large amount of bioactives and pave a new path to develop drugs and medications for COVID-19. The present study was aimed to examine the potential of Emblica officinalis (amla), Phyllanthus niruri Linn. (bhumi amla) and Tinospora cordifolia (giloy) bioactive compounds to inhibit the enzymatic activity of COVID-19 M pro . In total, 96 bioactive compounds were selected and docked with COVID-19 M pro and further validated by molecular dynamics study. From the docking and molecular dynamics study, it was revealed that the bioactives namely amritoside, apigenin-6-C-glucosyl7-O-glucoside, pectolinarin and astragalin showed better binding affinities with COVID-19 M pro . Drug-likeness, ADEMT and bioactivity score prediction of best drug candidates were evaluated by DruLiTo, pkCSM and Molinspiration servers, respectively. Overall, the in silico results confirmed that the validated bioactives could be exploited as promising COVID-19 M pro inhibitors.

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Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Targeting COVID-19 (SARS-CoV-2) main protease through active phytocompounds of ayurvedic medicinal plants – Emblica officinalis (Amla), Phyllanthus niruri Linn. (Bhumi Amla) and Tinospora cordifolia (Giloy) – A molecular docking and simulation study

Murugesan

Kottekad

Crasta

et al. 2021

Computers in Biology and Medicine

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“…Molecular docking examines and evaluates the affinity of probable drug candidates toward the binding cavities of target proteins or enzymes by establishing chemical connections of various strengths (Alam and Khan, 2018;Padhi et al, 2020). Tyrosol has earlier been reported as an inhibitor of several enzymes including α-glucosidase, cytochrome oxidase through in silico and in vitro investigations (Zhang et al, 2019;Yadav et al, 2020). Amini et al (2017) reported the possible antibacterial action of tyrosol as it inhibited ATPase activity in E. coli.…”

Section: Discussionmentioning

confidence: 99%

Isolation and Characterization of an Endophytic Fungus Colletotrichum coccodes Producing Tyrosol From Houttuynia cordata Thunb. Using ITS2 RNA Secondary Structure and Molecular Docking Study

Talukdar

Padhi

Kumar

et al. 2021

Front. Bioeng. Biotechnol.

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An endophytic fungus isolated from healthy leaf tissues of Houttuynia cordata Thunb., an ethnomedicinal plant of North East India, showed a considerable amount of antimicrobial activity. The ethyl acetate extract of the fungal culture filtrates displayed promising antimicrobial activity against a panel of clinically significant pathogens including Candida albicans, Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa. Bioassay guided purification of the organic extract using column and thin layer chromatography yielded a pure homogenous compound which was identified using spectroscopic methods (essentially by 1H NMR and MS) as tyrosol, a well-known phenylethanoid present in several natural sources. Besides, molecular docking studies against tyrosyl tRNA synthetases (TyrRS) of S. aureus (PDB ID: 1JIL) and E. coli (PDB ID: 1VBM), and CYP45014α-lanosterol demethylase (CYP51) of C. albicans (PDB ID: 5FSA) revealed tyrosol has a strong binding affinity with the enzyme active site residues. The fungus was identified as Colletotrichum sp. and characterized by its genomic ITS rDNA and ITS2 sequences. Phylogenetic analyses showed clustering of our isolate with Colletotrichum coccodes. Species of Colletotrichum are also reported to be plant pathogens. Therefore, to confirm the endophytic lifestyle of the isolate, ITS2 RNA secondary structure study was undertaken. The result indicated our isolate exhibited differences in the folding pattern as well as in motif structures when compared to those of pathogenic C. coccodes. The findings indicated that endophytic fungi harboring H. cordata could be explored as a potent source of antimicrobial agents.

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“…is substance, which is called oleocanthal [60], can have an analgesic effect by a mechanism similar to ibuprofen, which suppresses the production of prostaglandins [61][62][63][64][65], so it can relieve wound pain. It is important to note that several studies [4,6,27] have shown that olive oil has no side effects for consumers.…”

Section: Atopic Dermatitis (Eczema)mentioning

confidence: 99%

Anti-Inflammatory and Restorative Effects of Olives in Topical Application

Taheri

Amiri‐Farahani

2021

Dermatology Research and Practice

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Background and Objective. Olive oil is used as a traditional treatment for wounds, sores, and infections, and the effectiveness of topical use and absence of side effects have been reported in various clinical trials. The present study is an overview of the anti-inflammatory properties of olive oil in its topical application for various skin diseases and wounds. Methods. A literature search was conducted (1990–2021) in Medline, Embase, CINAHL, Google Scholar, Science Direct, SID, IranDoc, and Magiran databases. From the 102 reviewed articles, 17 articles were selected to be included in the current article. Results. Various forms of olive have long been used to accelerate the healing of various wounds and skin damage such as diabetic foot ulcers, atopic dermatitis, diaper dermatitis, episiotomy wound, and nipple ulcer but there are still no credible documents or articles that provide reliable evidence of topical use. Conclusion. According to the information obtained from the articles reviewed, olive oil appears to be an effective, safe, and available treatment. This study suggests that olive oil is an alternative remedy to minimize the frequent use of chemical-based treatments. More research may be beneficial to reach certainty in terms of curative properties of olive oil in similar or different injuries in different populations.

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Exploration of interaction mechanism of tyrosol as a potent anti-inflammatory agent

Cited by 35 publications

References 70 publications

Targeting COVID-19 (SARS-CoV-2) main protease through active phytocompounds of ayurvedic medicinal plants – Emblica officinalis (Amla), Phyllanthus niruri Linn. (Bhumi Amla) and Tinospora cordifolia (Giloy) – A molecular docking and simulation study

Targeting COVID-19 (SARS-CoV-2) main protease through active phytocompounds of ayurvedic medicinal plants – Emblica officinalis (Amla), Phyllanthus niruri Linn. (Bhumi Amla) and Tinospora cordifolia (Giloy) – A molecular docking and simulation study

Isolation and Characterization of an Endophytic Fungus Colletotrichum coccodes Producing Tyrosol From Houttuynia cordata Thunb. Using ITS2 RNA Secondary Structure and Molecular Docking Study

Anti-Inflammatory and Restorative Effects of Olives in Topical Application

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