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1.
J Biomol Struct Dyn ; 41(5): 1561-1573, 2023 03.
Artigo em Inglês | MEDLINE | ID: mdl-34984961

RESUMO

Triple negative breast cancer constitutes to about 21.8 percent of the total breast cancer related cases. Its ability to affect young ladies and in pre-menstrual stage makes this a disease of concern worldwide. The current treatment regimens involve chemotherapy which are used for treatment of other cancer types. In this regard, there is a need for specific and targeted drug candidate for its effective treatment. In the current study, assessment of coumarin derivative 2-(2-(6- Methyl-2-Oxo-2H-chromen-4-yl) acetamido)-3-phenylpropanoic acid is carried out both In-silico and In-vitro methods. Frizzled transmembrane proteins of Wingless-related integration site signaling pathway was targeted in which Frizzled-7 proved to a prospective target and showed a binding energy of -6.78 kcal/mol. The complex was subjected to molecular dynamics simulation for 200 ns and showed stable interaction with cysteine rich domain of the receptor. Cell proliferation, viability and apoptosis assay were performed on MDA-MB-231 and MDA-MB-468 cell lines with an IC50 value of 81.23 and 84.68 µM, respectively. The results provide a drug candidate which is derivative of a natural compound with targeted TNBC inhibitory effect. Communicated by Ramaswamy H. Sarma.


Assuntos
Neoplasias de Mama Triplo Negativas , Humanos , Neoplasias de Mama Triplo Negativas/tratamento farmacológico , Cumarínicos/farmacologia , Receptores Frizzled , Linhagem Celular Tumoral , Proliferação de Células , Apoptose , Transdução de Sinais
2.
J Hazard Mater ; 426: 128086, 2022 Mar 15.
Artigo em Inglês | MEDLINE | ID: mdl-34933258

RESUMO

The conventional methods of plastic waste management such as mechanical and chemical recycling, landfill complemented by incineration and pyrosis have limited scope. Thus, microbiological-based approaches by the application of microbial consortia or cocultures are appropriate, cost-effective, and eco-friendly to manage plastic wastes. Screening of novel plastic degrading microorganisms, the formulation of microbial consortia, and utilisation of their enzymes probably play a role in plastic waste management. The by-products of microbial degradation of plastic waste can be used as bio-energy sources, that aids in the development of cost-effective bio-digesters. The recent advancements in computational biology and bioinformatics play a vital role in understanding the molecular basis of enzymatic degradation of plastic polymers by microorganisms. Understanding the three-dimensional structures of plastic degrading enzymes and their metabolic pathways play a vital role in studying the microbial degradation of plastics. The present review highlights the scope of various microorganisms and their enzymes in plastic degradation. The review emphasizes the applications of co-cultures or microbial consortia-based approaches for the enhanced degradation of plastic polymers and the production of value-added end products that can be used as the prototypes of bioenergy sources. The review also provides a comprehensive outlook on the applications of data sciences, computational biology, and bioinformatics resources, and web-based tools towards the study of microbial degradation of plastic polymers.


Assuntos
Consórcios Microbianos , Plásticos , Biodegradação Ambiental , Biologia Computacional , Ciência de Dados
3.
J Environ Manage ; 284: 112030, 2021 Apr 15.
Artigo em Inglês | MEDLINE | ID: mdl-33529882

RESUMO

This study prioritizes the biodegradation potential of novel bacterial consortia formulated from cow dung samples towards low-density polyethylene (LDPE) and polypropylene (PP) in comparison with our previous studies. Ten possible consortia were formulated using 10 selected isolates with >10% weight reduction of LDPE and PP, these were pre-treated under UV for 1 h, and their biodegradation potential was studied for 160 days. The isolates present in prioritized consortia were characterized by standard microbiology and 16SrRNA gene sequencing methods. Out of 10 bacterial consortia formulated, potential consortium-CB3 showed greater percentage degradation (weight reduction) of 64.25 ± 2% and 63.00 ± 2% towards LDPE and PP films, respectively (p < 0.05) at 37 °C compared to other consortia. Significant structural variations due to the formation of bacterial biofilm were observed in CB3 treated LDPE and PP films. The three bacteria-IS1, IS2, and IS3-that constituted CB3 were found to be novel strains and designated to be Enterobacter sp nov. bt DSCE01, Enterobacter cloacae nov. bt DSCE02, and Pseudomonas aeruginosa nov. bt DSCE-CD03, respectively. This novel consortium can be scaled up for enhanced degradation of plastic polymers and probably design cost-effective bio-digester for industrial applications using CB3 as potential inoculum.


Assuntos
Polietileno , Polipropilenos , Animais , Biodegradação Ambiental , Bovinos , Enterobacter , Feminino , Pseudomonas/genética
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