Discover Community Create You

Loading publication...

Noodle always counts identifier-free feature events for service operation. With your permission, Google Analytics can also estimate audience and engagement. Search text, publication identifiers, cookies, IP addresses and browser fingerprints are never included in Noodle's first-party event counters.

Privacy details

Article

Molecular docking and MD simulation approach to identify potential phytochemical lead molecule against triple negative breast cancer

18 Mar 2025

Abstract excerpt

<h4>Background: </h4> Triple-negative breast cancers (TNBC) are defined as tumors that lack the expression of the estrogen receptor (ER), progesterone receptor (PR), and human epidermal growth factor receptor 2 (HER2). It exhibits unique clinical and pathological features, demonstrates high aggressiveness, and has a relatively poor prognosis and clinical outcome. Objective To identify a novel drug target protein...

Read the complete abstract on PubMed

Topics

Share this publication in a Topic to start or enrich a Post.

Share to Computational Drug Discovery Methods
Share to Estrogen and related hormone effects
Share to Ferroptosis and cancer prognosis

Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

Source

Identifiers

PMID: 40860264
DOI: 10.12688/f1000research.155657.2

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 3 Sept 2026.

Related research

Semantic proximity does not establish scientific evidence.

Research trail→

Click a neighbor to travelStep 1 · 12 closest

Molecular docking and MD simulation approach to identify potential phytochemical lead molecule against triple negative breast cancerPMID 40860264Read ↗

Integrative in-silico analysis on phytocompounds of Pajanelia longifolia against hepatocellular carcinoma: gene network target identification, molecular docking, simulation and ADMET profilingSemantic proximity Read ↗

Molecular Docking Appraisal of Dysphania ambrosioides Phytochemicals as Potential Inhibitor of a Key Triple-negative Breast Cancer Driver GeneSemantic proximity Read ↗

Screening and identification of phytochemical drug molecules against mutant BRCA1 receptor of breast cancer using computational approaches.Semantic proximity Read ↗

Network Pharmacology and Experimental Validation to Explore the Potential Mechanism of Nigella sativa for the Treatment of Breast CancerSemantic proximity Read ↗

Molecular Targets and Mechanisms of Piperine Against Breast Cancer: A Network Pharmacology, Molecular Docking Analysis, and Toxicity PredictionSemantic proximity Read ↗

Selected Ideal Natural Ligand Against TNBC by Inhibiting CDC20, Using Bioinformatics and Molecular BiologySemantic proximity Read ↗

Coumarin derivative as a potent drug candidate against triple negative breast cancer targeting the frizzled receptor of wingless-related integration site signaling pathwaySemantic proximity Read ↗

Exploring phytoconstituents of <i>Juglans regia</i> to treat cervical cancer using integrative BioinformaticsSemantic proximity Read ↗

Network Pharmacology-Oriented Identification of Key Proteins and Signaling Pathways of breast cancerSemantic proximity Read ↗

Multi-Scale Computational Investigation of Heliotropium indicum Phytochemicals as Multi-Target Therapeutics Against Breast Cancer: Integration of Network Pharmacology, Molecular Dynamics with Free- Energy Calculation, and Machine LearningSemantic proximity Read ↗

Exploring the therapeutic potential of Rutin and Morin in Type 2 Diabetes: A transcriptomics and molecular dynamics simulation for proteinsSemantic proximity Read ↗

Systems biology-based discovery of a potential Atg4B agonist (Flubendazole) that induces autophagy in breast cancerSemantic proximity Read ↗

⌁Select a neighboring publication to make it the new centre.