Enhancing plant-derived smart nano inhibitor in targeting mammalian target of rapamycin (mTOR) in breast cancer using Curcuma longa-derived compound curcumin

Alamri, Ali H.; Debnath, Sandip; Alqahtani, Taha; Alqahtani, Ali S.; Alshehri, Saad Ali; Ghosh, Arabinda

doi:10.1007/s11356-023-25375-0

Cited by 3 publications

(2 citation statements)

References 18 publications

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“…The ligand bound to the core of the pocket. These findings provided evidence in favor of the potential of the Curcumin molecule with 2AYD, demonstrated the effectiveness in binding to the chosen protein, and demonstrated the capacity to create stable protein–ligand complexes [ 25 , 31 , 32 ]. The probability distribution of the torsion may be shown using dial plots and bar charts.…”

Section: Discussionmentioning

confidence: 99%

“…It was decided to add 0.15M NaCl solutions to the system to simulate the physiological environment. The NPT ensemble was generated in each simulation by applying the Nose–Hoover chain coupling method [ 31 , 32 ]. The simulations were run with the following parameters: a temperature of 300 K; a relaxation period of 1.0 ps; a pressure of 1 bar, and a time step of 2 ps after that.…”

Section: Methodsmentioning

confidence: 99%

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The Enhanced Affinity of WRKY Reinforces Drought Tolerance in Solanum lycopersicum L.: An Innovative Bioinformatics Study

Debnath

Kant

Bhowmick

et al. 2023

Plants

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In the scenario of global climate change, understanding how plants respond to drought is critical for developing future crops that face restricted water resources. This present study focuses on the role of WRKY transcription factors on drought tolerance in tomato, Solanum lycopersicum L., which is a significant vegetable crop. WRKY transcription factors are a group of proteins that regulate a wild range of growth and developmental processes in plants such as seed germination and dormancy and the stress response. These transcription factors are defined by the presence of a DNA-binding domain, namely, the WRKY domain. It is well-known that WRKY transcription factors can interact with a variety of proteins and therefore control downstream activities. It aims to simulate the effect of curcumin, a bioactive compound with regulatory capacity, on the protein–protein interaction events by WRKY transcription factors with an emphasis on drought stress. It was found that curcumin binds to WRKY with an energy of −11.43 kcal/mol with inhibitory concentration (Ki) 0.12 mM and has the potential to improve fruit quality and reinforce drought tolerance of S. lycopersicum, according to the results based on bioinformatics tools. The root means square deviation (RMSD) of the C-α, the backbone of 2AYD with ligand coupled complex, displayed a very stable structure with just a little variation of 1.89 Å. MD simulation trajectory of Cα atoms of 2AYD bound to Curcumin revealed more un-ordered orientation in PC1 and PC10 modes and more toward negative correlation from the initial 400 frames during PCA. Establishing the binding energies of the ligand–target interaction is essential in order to characterize the compound’s binding affinity to the drought transcription factor. We think we have identified a phyto-agent called curcumin that has the potential to enhance the drought tolerance. Compared to the part of the mismatch repair-base technique that can be used to fix drought related genes, curcumin performed better in a drop-in crop yield over time, and it was suggested that curcumin is a potential candidate factor for improving drought tolerance in tomatoes, and it needs future validation by experiments in laboratory and field.

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Section: Discussionmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

The Enhanced Affinity of WRKY Reinforces Drought Tolerance in Solanum lycopersicum L.: An Innovative Bioinformatics Study

Debnath

Kant

Bhowmick

et al. 2023

Plants

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Polyphenol-Loaded Nano-carriers for Breast Cancer Therapy: A Comprehensive Review

Bhat,

Gupta,

Afzal

et al. 2024

BioNanoSci.

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Genus Curcuma: chemical and ethnopharmacological role in aging process

Elhawary,

Moussa,

Singab

2024

BMC Complement Med Ther

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Aging or senescence is part of human life development with many effects on the physical, mental, and physiological aspects which may lead to age-related deterioration in many organs. Genus Curcuma family Zingieraceae represents one of the well-studied and medically important genera with more than eighty species. The genus is reported to contain different classes of biologically active compounds that are mainly presented in diphenylheptanoids, diphenylpentanoids, diphenylalkanoids, phenylpropene derivatives, alkaloids, flavonoids, chromones, terpenoids, phenolic acids and volatile constituents. Rhizomes and roots of such species are rich with main phytoconstituents viz. curcumin, demethoxycurcumin and bis-demethoxycurcumin. A wide variety of biological activities were demonstrated for different extracts and essential oils of genus Curcuma members including antioxidant, anti-inflammatory, cytotoxic and neuroprotective. Thus, making them as an excellent safe source for nutraceutical products and as a continuous promising area of research on lead compounds that may help in the slowing down of the aging process especially the neurologic and mental deterioration that are usually experienced upon aging. In this review different species of the genus Curcuma were summarized with their phytochemical and biological activities highlighting their role as antiaging agents. The data were collected from different search engines viz. Pubmed®, Google Scholar®, Scopus® and Web of Science® limiting the search to the period between 2003 up till now.

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Enhancing plant-derived smart nano inhibitor in targeting mammalian target of rapamycin (mTOR) in breast cancer using Curcuma longa-derived compound curcumin

Cited by 3 publications

References 18 publications

The Enhanced Affinity of WRKY Reinforces Drought Tolerance in Solanum lycopersicum L.: An Innovative Bioinformatics Study

The Enhanced Affinity of WRKY Reinforces Drought Tolerance in Solanum lycopersicum L.: An Innovative Bioinformatics Study

Polyphenol-Loaded Nano-carriers for Breast Cancer Therapy: A Comprehensive Review

Genus Curcuma: chemical and ethnopharmacological role in aging process

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