WebSkilled in Molecular Dynamics, Molecular Docking, Cheminformatics, and Homology Modeling. ... Eugenol is an essential oil mainly found in the buds and leaves of clove (Syzygium aromaticum (L.) Merrill and Perry), which has been reported to have activity on inhibition of cell proliferation and apoptosis induction in human MCF-7 breast cancer ... Web•Screened against MCF-7 breast cancer cells for their anti-cancer activity by measuring the cytotoxicity. ... Thus molecular docking and molecular dynamics (MD) simulation experiments were executed to validate our hypothesis on mode of ligands binding and protein complex stability. ... Eugenol is a natural product abundantly found in clove ...
Naveen Kumar Singh , PhD - Postdoctoral Research Scientist
WebJun 1, 2014 · Estrogen receptor alpha (ERα) plays a key role in the malignancy of breast cancer. Therefore, inhibitors for ERα can act as useful agents for the treatment of breast cancer. In the present study, we describe docking, toxicity prediction as a rational strategy for identification of novel hits or leads. Pubmed search showed, 76 6-methyl-1,3,8 … WebDec 28, 2024 · The eugenol molecules have a significant affinity for breast cancer receptors. The aim of the study has been on the eugenol compounds, which has potent actions on Erα, PR, EGFR, CDK2, mTOR, ERBB2, c-Src, HSP90, and chemokines … fanicon ticket
Molecular Interaction Analysis of COX-2 Against Aryl
WebThe results confirm that Eugenol cinnamaldehyde has the best docking score for breast cancer, followed by Aspirin eugenol ester and 4-Allyl-2-methoxyphenyl cinnamate. WebJun 25, 2024 · G Protein-Coupled Receptor 116 is an adhesion orphan receptor that intensifies the invasion of cells in Triple-Negative Breast Cancer. In this study, existing … WebJan 1, 2024 · Estrogens play a central role in breast cancer improvement with ERα status being the mainly significant predictor of breast cancer prognosis. The potent lead … fan id orlegi