MétaCan
Menu
Back to cohort
Record W2979506893 · doi:10.9734/jpri/2019/v30i230265

The Antiangiogenic Effects of Tamoxifen might be Attributed to Receptor Binding Capacity of its Solvent Dimethylsulfoxide in Breast Cancer: A Molecular Docking Study

2019· article· en· W2979506893 on OpenAlexaff
Orhan Koçak, Nazlı Deniz Taşkın, Ece Şimşek

Bibliographic record

VenueJournal of Pharmaceutical Research International · 2019
Typearticle
Languageen
FieldComputer Science
TopicComputational Drug Discovery Methods
Canadian institutionsMcGill University
Fundersnot available
KeywordsProtein Data Bank (RCSB PDB)TamoxifenDocking (animal)ReceptorCancer researchGrowth factor receptorAngiogenesisChemistryBreast cancerPharmacologyBiologyInternal medicineCancerBiochemistryMedicine

Abstract

fetched live from OpenAlex

Aim: Tamoxifen, a Dimethyl sulfoxide (DMSO)-soluble chemotherapeutic, is widely used in the treatment of breast cancer. Tamoxifen has an anti-angiogenic effect especially on breast tumor cells by blocking VEGF(Vascular Endothelial Growth Factor) production. On the other hand, according to our previously studies, we demonstrated that DMSO could mimics the cytotoxic effects of Thalidomide in 4T1 mouse breast cancer cells and is related with the anti-angiogenic response of HeLa cells. At this point of view, the aim of this study was to determine the possible binding effects of DMSO on certain cell surface receptors. Methods: The in silico studies were implemented using the Docking Server. X-ray structures of receptor proteins’ PDB files were obtained from Protein Data Bank [Human Progesteron Receptor (PDB ID: 1A28, Human Tumor Necrosis Factor Receptor-1 (PDB ID: 1EXT), Human Interferon Gamma Receptor-1 (PDB ID: 1FG9), Human Epidermal Growth Factor Receptor (PDB ID: 1IVO)]. Docking simulations were performed using the Lamarckian genetic algorithm (LGA) and the Solis & Wets local search method. Results: According to the molecular docking results of this study, DMSO, the general solvent of Tamoxifen, has a 90% binding capacity to the Interferon Gamma (IFNɣ) receptor and 100% to Tumor Necrosis Factor alfa (TNFα) receptor, respectively. Conclusion: These receptors have significant effects on the proliferation and angiogenesis of cancer cells which leads to the metastasis of breast cancer. In conclusion, the antiangiogenic effects of Tamoxifen might be reduced due to its solvent DMSO's angiogenic effects.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.007
metaresearch head score (Gemma)0.002
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.176
Threshold uncertainty score0.416

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0070.002
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0020.001
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0000.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.092
GPT teacher head0.466
Teacher spread0.374 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations3
Published2019
Admission routes1
Has abstractyes

Explore more

Same venueJournal of Pharmaceutical Research InternationalSame topicComputational Drug Discovery MethodsFrench-language works237,207