The Efficient Activity of Glabridin and its Derivatives Against EGFR-mediated Inhibition of Breast Cancer

Journal article


Marios Papadakis, Arabinda Ghosh, Debanjana Ghosh, Nobendu Mukerjee, Swastika Maitra, Padmashree Das, Abhijit Dey, Souty M.Z. Sharkawi, Georgios D. Zouganelis, Athanasios Alexiou, Somdatta Yashwant Chaudhari, Ritika Sharma, Sonali Arun Waghmare, Gaber El-saber Batiha and Zouganelis, G. 2023. The Efficient Activity of Glabridin and its Derivatives Against EGFR-mediated Inhibition of Breast Cancer. Current Medicinal Chemistry. https://doi.org/10.2174/0929867330666230303120942
AuthorsMarios Papadakis, Arabinda Ghosh, Debanjana Ghosh, Nobendu Mukerjee, Swastika Maitra, Padmashree Das, Abhijit Dey, Souty M.Z. Sharkawi, Georgios D. Zouganelis, Athanasios Alexiou, Somdatta Yashwant Chaudhari, Ritika Sharma, Sonali Arun Waghmare, Gaber El-saber Batiha and Zouganelis, G.
Abstract

Background: Breast cancer (BC) is one of the most typical causes of cancer death in women worldwide. Activated epidermal growth factor receptor (EGFR) signaling has been increasingly associated with BC development and resistance to cytotoxic drugs. Due to its significant association with tumour metastasis and poor prognosis, EGFR-mediated signaling has emerged as an attractive therapeutic target in BC. Mainly in all BC cases, mutant cells over-expresses EGFR. Certain synthetic drugs are already used to inhibit the EGFR-mediated pathway to cease metastasis, with several phytocompounds also revealing great chemopreventive activities.

Methods: This study used chemo-informatics to predict an effective drug from some selected phytocompounds. The synthetic drugs and the organic compounds were individually screened for their binding affinities, with EGFR being the target protein using molecular docking techniques.

Results: The binding energies were compared to those of synthetic drugs. Among phytocompounds, Glabridin (phytocompound of Glycyrrhiza glabra) manifested the best dock value of -7.63 Kcal/mol, comparable to that of the highly effective anti-cancer drug Afatinib. The glabridin derivatives also exhibited comparable dock values.

Conclusion: The AMES properties deciphered the non-toxic features of the predicted compound. Pharmacophore modeling and in silico cytotoxicity predictions also exhibited a superior result assuring their drug likeliness. Therefore, Glabridin can be conceived as a promising therapeutic method to inhibit EGFR-mediated BC.

Keywordsbreast cancer; molecular dynamics simulation ; Pharmacophore modeling
Year2023
JournalCurrent Medicinal Chemistry
ISSN0929-8673
Digital Object Identifier (DOI)https://doi.org/10.2174/0929867330666230303120942
Web address (URL)http://dx.doi.org/10.2174/0929867330666230303120942
Output statusPublished
Publication dates03 Mar 2023
Publication process dates
Deposited05 Apr 2023
Permalink -

https://repository.derby.ac.uk/item/9xzy7/the-efficient-activity-of-glabridin-and-its-derivatives-against-egfr-mediated-inhibition-of-breast-cancer

  • 71
    total views
  • 0
    total downloads
  • 0
    views this month
  • 0
    downloads this month

Export as

Related outputs

Compositional constraints and selection forces dictate codon usage in human bocavirus
Khandia, R.,, Singhal, S., Kumar, U., Shende, K., Pandey, M.K., Povetkin, S.N., Rzhepakovsky, I.V., Raut, A., Alexiou, A., Dhama, K., Zouganelis, G. and Khan. A. A. 2023. Compositional constraints and selection forces dictate codon usage in human bocavirus. Journal of King Saud University - Science. 35 (6), pp. 1-11. https://doi.org/10.1016/j.jksus.2023.102726
Low Throughput Direct Cycle Sequencing of Polymerase Chain Reaction (PCR) Products
Nikolaos Tairis and Zouganelis, G. 2023. Low Throughput Direct Cycle Sequencing of Polymerase Chain Reaction (PCR) Products. in: Scarlett, Gary (ed.) DNA Manipulation and Analysis New York, NY Springer. pp. 195–211
Nanomaterial-induced toxicity in pathophysiological models representative of individuals with pre-existing medical conditions
Sreejesh Sreedharan, Zouganelis, G., Samantha J Drake, Gyanendra Tripathi and Ali Kermanizadeh 2022. Nanomaterial-induced toxicity in pathophysiological models representative of individuals with pre-existing medical conditions. Journal of Toxicology and Environmental Health, Part B: Critical Reviews. pp. 1-27. https://doi.org/10.1080/10937404.2022.2153456
The fractal viewpoint of tumors and nanoparticles.
Alexiou, A., Tsagkaris, C., Chatzichronis, S., Koulouris, A., Haranas, I., Gkigkitzis, I., Zouganelis, G., Mukerjee, N., Maitr, S., Jha, N. K., Batiha, G. and Amjad, M. 2022. The fractal viewpoint of tumors and nanoparticles. Current Medicinal Chemistry. 30 (3), pp. 356 - 370. https://doi.org/10.2174/0929867329666220801152347
Crinum jagus (J. Thomps. Dandy): Antioxidant and protective properties as a medicinal plant on toluene-induced oxidative stress damages in liver and kidney of rats
Salihu, M., Batiha, G.E.S., Kasozi, K.I., Zouganelis, G., Sharkawi, S.M., Ahmed, E.I., Usman, I.M., Nalugo, H., Ochieng, J.J., Ssengendo, I., Okeniran, O.S., Pius, T., Kimanje, K. R., Kegoye, E.S., Kenganzi, R. and Ssempijjai, F. 2022. Crinum jagus (J. Thomps. Dandy): Antioxidant and protective properties as a medicinal plant on toluene-induced oxidative stress damages in liver and kidney of rats. Toxicology Reports. 9, pp. 699-712. https://doi.org/10.1016/j.toxrep.2022.03.026
Development and validation of anti-human Alpha synuclein DNA aptamer using computer modelling techniques—an in silico study
Rock, M., Zouganelis, G., Belchior de Andrade, A., Drake, S., Alexiou, A., Albrakati, A., Bathia, G. E. S. and Illingworth, T. 2022. Development and validation of anti-human Alpha synuclein DNA aptamer using computer modelling techniques—an in silico study. Journal of Integrative Neuroscience. 21 (1), p. 5. https://doi.org/10.31083/j.jin2101005
Characterization and phylogeny of fungi isolated from industrial wastewater using multiple genes
Ezeonuegbu, B.A., Abdullahi, M.D., Whong, C.M., Sohunago, J.W., Kassem, H.S., Yaro, C.A., Hetta, H.F., Mostafa-Hedeab, G., Zouganelis, G. and Batiha, G.E.S 2022. Characterization and phylogeny of fungi isolated from industrial wastewater using multiple genes. Scientific Reports. 12, pp. 1-11. https://doi.org/10.1038/s41598-022-05820-9
Photoperiod-Dependent Expression of MicroRNA in Drosophila.
Pegoraro, M., Fishman, B., Zonato, V., Zouganelis, G., Francis, A., Kyriacou, C. P. and Tauber, E. 2022. Photoperiod-Dependent Expression of MicroRNA in Drosophila. International Journal of Molecular Sciences. 23 (9), pp. 1-14. https://doi.org/10.3390/ijms23094935
The Inclusion of a Matrix Metalloproteinase-9 Responsive Sequence in Self-assembled Peptide-based Brain-Targeting Nanoparticles Improves the Efficiency of Nanoparticles Crossing the Blood-Brain Barrier at Elevated MMP-9 Levels
Islam, Yamir, Ehtezazi, Parinaz, Cashmore, Andrew, Marinsalda, Elena, Leach, Andrew G., Coxon, Christopher R., Fatokun, Amos A., Sexton, Darren W., Khan, Iftikhar, Downing, James, Pluchino, Stefano, Sivakumaran, Muttuswamy, Teixido, Meritxell, Ehtezazi, Touraj and Zouganelis, George 2020. The Inclusion of a Matrix Metalloproteinase-9 Responsive Sequence in Self-assembled Peptide-based Brain-Targeting Nanoparticles Improves the Efficiency of Nanoparticles Crossing the Blood-Brain Barrier at Elevated MMP-9 Levels. Journal of Pharmaceutical Science. https://doi.org/10.1016/j.xphs.2020.12.004
An old dog and new tricks: Genetic analysis of a Tudor dog recovered from the Mary Rose wreck.
Zouganelis, George D, Ogden, Rob, Nahar, Niru, Runfola, Valeria, Bonab, Maziar, Ardalan, Arman, Radford, David, Barnett, Ross, Larson, Greger, Hildred, Alex, Jones, Mark and Scarlett, Garry 2014. An old dog and new tricks: Genetic analysis of a Tudor dog recovered from the Mary Rose wreck. Forensic Science International. 245, pp. 51-7. https://doi.org/10.1016/j.forsciint.2014.10.001
In Vivo and In Vitro Evaluation of Preventive Activity of Inflammation and Free Radical Scavenging Potential of Plant Extracts from Oldenlandia corymbosa L.
Al Bashera, M., Mosaddik, A., El-Saber Batiha, G., Alqarni, M., Islam, M.A., Zouganelis, G., Alexiou, A. and Zahan, R. 2021. In Vivo and In Vitro Evaluation of Preventive Activity of Inflammation and Free Radical Scavenging Potential of Plant Extracts from Oldenlandia corymbosa L. Applied Sciences. 11 (19), p. 9073. https://doi.org/10.3390/app11199073