Structure Based Multitargeted Molecular Docking Analysis of Selected Furanocoumarins against Breast Cancer
Scientific Reports, ISSN: 2045-2322, Vol: 9, Issue: 1, Page: 15743
2019
- 121Citations
- 264Captures
- 1Mentions
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Example: if you select the 1-year option for an article published in 2019 and a metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019. If you select the 3-year option for the same article published in 2019 and the metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019, 2018 and 2017.
Citation Benchmarking is provided by Scopus and SciVal and is different from the metrics context provided by PlumX Metrics.
Metrics Details
- Citations121
- Citation Indexes121
- 121
- CrossRef74
- Captures264
- Readers264
- 264
- Mentions1
- News Mentions1
- News1
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Synthesis and Evaluation of Anticancer activity of some new 3(2h)-one pyridazinone derivatives by Molecular Docking Studies
Mehvish*, Arvind Kumar SD College of Pharmacy and Vocational Studies, Muzaffarnagar, UP. *Corresponding Author E-mail: mehvishakhlaq786pharma@gmail.com ABSTRACT: The present research aims to synthesize new series
Article Description
Breast cancer is one of the biggest global dilemmas and its current therapy is to target the hormone receptors by the use of partial agonists/antagonists. Potent drugs for breast cancer treatment are Tamoxifen, Trastuzumab, Paclitaxel, etc. which show adverse effects and resistance in patients. The aim of the study has been on certain phytochemicals which has potent actions on ERα, PR, EGFR and mTOR inhibition. The current study is performed by the use of molecular docking as protein-ligand interactions play a vital role in drug design. The 3D structures of ERα, PR, EGFR and mTOR were obtained from the protein data bank and docked with 23 3D PubChem structures of furanocoumarin compounds using FlexX. Drug-likeness property was checked by applying the Lipinski’s rule of five on the furanocoumarins to evaluate anti-breast cancer activity. Antagonist and inhibition assay of ERα, EGFR and mTOR respectively has been performed using appropriate in-vitro techniques. The results confirm that Xanthotoxol has the best docking score for breast cancer followed by Bergapten, Angelicin, Psoralen and Isoimperatorin. Further, the in-vitro results also validate the molecular docking analysis. This study suggests that the selected furanocoumarins can be further investigated and evaluated for breast cancer treatment and management strategies.
Bibliographic Details
Springer Science and Business Media LLC
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