Molecular modelling, dynamics simulation and characterization of antifungal chitinase from Sechium edule

Bhattacharjee, Bipasha; Pathaw, Neeta; Chrungoo, Nikhil K.; Bhattacharjee, Atanu

doi:10.1016/j.gene.2016.12.007

Cited by 4 publications

(2 citation statements)

References 17 publications

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“…Elevated levels of chitinases have been reported in a variety of diseases including infections, chronic inflammation, and degenerative disorders [ 39 , 40 ]. Recent studies reported that CHIT1 play a role as antifungal and antibacterial activity [ 41 , 42 , 43 , 44 , 45 ]. We also demonstrated an enzymatic activity of CHIT1 in FSM that can partially explain its anti-microbial activity.…”

Section: Discussionmentioning

confidence: 99%

Antimicrobial and Anti-Proliferative Effects of Skin Mucus Derived from Dasyatis pastinaca (Linnaeus, 1758)

et al. 2017

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Resistance to chemotherapy occurs in various diseases (i.e., cancer and infection), and for this reason, both are very difficult to treat. Therefore, novel antimicrobial and chemotherapic drugs are needed for effective antibiotic therapy. The aim of the present study was to assess the antimicrobial and anti-proliferative effects of skin mucus derived from Dasyatis pastinaca (Linnaeus, 1758). Our results showed that skin mucus exhibited a significant and specific antibacterial activity against Gram-negative bacteria but not against Gram-positive bacteria. Furthermore, we also observed a significant antifungal activity against some strains of Candida spp. Concerning anti-proliferative activity, we showed that fish mucus was specifically toxic for acute leukemia cells (HL60) with an inhibition of proliferation in a dose dependent manner (about 52% at 1000 μg/mL of fish skin mucous, FSM). Moreover, we did not observe effects in healthy cells, in neuroblastoma cells (SH-SY5Y), and multiple myeloma cell lines (MM1, U266). Finally, it exhibited strong expression and activity of chitinase which may be responsible, at least in part, for the aforementioned results.

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Section: Discussionmentioning

confidence: 99%

Antimicrobial and Anti-Proliferative Effects of Skin Mucus Derived from Dasyatis pastinaca (Linnaeus, 1758)

et al. 2017

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“…However, the 3D structure of chitinase 1198 has not been completely characterized. Molecular simulation techniques have been successfully applied to study the interactions of chitinase with their substrates [10][11][12][13][14]. Thus, homology modeling techniques were used to generate a 3D structure of chitinase 1198 in the absence of an X-ray crystal structure [15].…”

Section: Introductionmentioning

confidence: 99%

Gene Cloning, Characterization, and Molecular Simulations of a Novel Recombinant Chitinase from Chitinibacter Tainanensis CT01 Appropriate for Chitin Enzymatic Hydrolysis

Wang

Wu²

2020

Polymers

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Chitin, a polymer of N-acetyl-d-glucosamine (GlcNAc), can be degraded by chitinase, which is produced by higher plants, vertebrates, and bacteria. Chitinases are characterized by the ability to hydrolyze the beta-1,4-linkages in the chitin chain by either an endolytic or an exolytic mechanism. Chitinase 1198 is a novel endochitinase from the genome sequence of Chitinibacter tainanensis CT01. Herein, we report the findings of molecular simulations and bioassays for chitinase 1198. Our experimental results suggest that chitinase 1198 can recognize the nonreducing end of chitin and cleave the second or third glycosidic linkage from the nonreducing end of chitin oligomers. Furthermore, our simulations results revealed that chitinase 1198 is more likely to bind chitin oligomers with the main hydrogen bonds of the Asp440, the second GlcNAc unit of chitin oligomers, and degrade chitin oligomers to (GlcNAc)2 molecules. Moreover, chitinase 1198 is less likely to bind chitin oligomers with the main hydrogen bonds of the Asp440, the third GlcNAc unit of chitin oligomers, and degrade chitin oligomers to (GlcNAc)3 molecules. Lastly, chitinase 1198 can bind (GlcNAc)3 molecules with the main hydrogen bonds of the Asp440, the second GlcNAc of the (GlcNAc)3 molecules, and degrade chitin oligomers to GlcNAc and (GlcNAc)2 molecules.

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Enzymatic biocontrol of spoilage fungi from salami

Cence

Santos

Garcia

et al. 2019

LWT

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Molecular modelling, dynamics simulation and characterization of antifungal chitinase from Sechium edule

Cited by 4 publications

References 17 publications

Antimicrobial and Anti-Proliferative Effects of Skin Mucus Derived from Dasyatis pastinaca (Linnaeus, 1758)

Antimicrobial and Anti-Proliferative Effects of Skin Mucus Derived from Dasyatis pastinaca (Linnaeus, 1758)

Gene Cloning, Characterization, and Molecular Simulations of a Novel Recombinant Chitinase from Chitinibacter Tainanensis CT01 Appropriate for Chitin Enzymatic Hydrolysis

Enzymatic biocontrol of spoilage fungi from salami

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