ArticlePloS one2022
Experimental, molecular docking and molecular dynamic studies of natural products targeting overexpressed receptors in breast cancer.
Article in PloS one, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 32 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
32 citing papers in PubMed, 103 citations in OpenAlex.
- Insights into the Possible Impact of PFAS on Phosphatidylcholine Metabolism and Membranes through Molecular Dynamics Simulations.ACS environmental Au · 2026Article
- Molecular insights into Silodosin's anti-cancer effects: a promising repurposing strategy for breast cancer.Cell death discovery · 2026Article
- Mechanistic insights into piperlongumine's neuroprotective role against cisplatin-induced neuropathy: a network pharmacology, molecular dynamics, and experimental approach.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- Aquatic-derived antimicrobial peptides and their strategically modified analogues as prospective anticancer therapeutics: a comprehensive systematic review of enhancement methodologies and mechanistic insights.Frontiers in chemistry · 2026Review
- Article
- Structure-guided design of a novel, stable, and soluble Cecropin A variant for antimicrobial therapeutic applications.Scientific reports · 2025Article
- Quercetin and Its Structural Analogs as NUDT5 Inhibitors: A Preliminary In Silico Study.International journal of molecular sciences · 2025Article
- Fluorescent Heterocyclic Compound-Loaded BiJournal of fluorescence · 2025Article
- In Silico Drug Repurposing Against PSMB8 as a Potential Target for Acute Myeloid Leukemia Treatment.Molecular biotechnology · 2025Article
- Next-generation cancer therapeutics: unveiling the potential of liposome-based nanoparticles through bioinformatics.Mikrochimica acta · 2025Review
- Nanostructured lipid carriers containing pheophytins derived from Cnidoscolus quercifolius Pohl for photodynamic therapy against breast cancer: isolation, identification, characterization, in vitro activity, and in silico studies.Lasers in medical science · 2025Article
- Phytochemicals in Breast Cancer Prevention and Treatment: A Comprehensive Review.Current issues in molecular biology · 2025Review
- Photodiagnosis and photodynamic recognition of cervical cancer with SEM and AFM images.PloS one · 2025Article
- Unveiling the insecticidal efficiency ofHeliyon · 2024Article
- Exploring the Potential Fungicidal Applications of a Cu(II) Complex with Schiff Base and Carboxylates againstACS omega · 2024Article
- GC-MS analysis, anti-inflammatory and anti-proliferative properties of the aerial parts of threeToxicology reports · 2024Article
- Double-Edged Sword Effect of Diet and Nutrition on Carcinogenic Molecular Pathways in Breast Cancer.International journal of molecular sciences · 2024Review
- Metabolomic insights and bioactive efficacies ofHeliyon · 2024Article
- Article
- Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Natural compounds are proper tools for inhibiting cancer cell proliferation. Hence, the search for these ligands of overexpressed receptors in breast cancer has been a competitive challenge recently and opens new avenues for drug discovery. In this research, we have investigated molecular interactions between natural products and overexpressed receptors in breast cancer using molecular docking and dynamic simulation approaches followed by extraction of the best ligand from Citrus limetta and developing for nanoscale encapsulation composed of soy lecithin using a sonicator machine. The encapsulation process was confirmed by DLS and TEM analyses. Anticancer activity was also examined using MTT method. Among the investigated natural compounds, hesperidin was found to bind to specific targets with stronger binding energy. The molecular dynamics results indicated that the hesperidin-MCL-1 complex is very stable at 310.15 K for 200 ns. The RP-HPLC analysis revealed that the purity of extracted hesperidin was 98.8% with a yield of 1.72%. The results of DLS and TEM showed a strong interaction between hesperidin and lecithin with an entrapped efficiency of 92.02 ± 1.08%. Finally, the cytotoxicity effect of hesperidin was increased against the MDA-MB-231 cell line with an IC50 value of 62.93 μg/mL after encapsulation, whereas no significant effect against the MCF10A cell line. We showed for the first time that hesperidin is a flexible and strong ligand for the MCL-1 receptor. Also, it has the in vitro ability to kill the MDA-MB-231 cell lines without having a significant effect on the MCF10A cell lines. Therefore, hesperidin could be used as a food ingredient to generate functional foods.
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.