Back to search

Article

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 Learning

2026-05-29

Abstract excerpt

<title>Abstract</title> <p> Background. Breast cancer (BC) remains a highly heterogeneous malignancy characterised by subtype-specific therapeutic vulnerabilities, pathway redundancy and adaptive resistance mechanisms that necessitate multi-target therapeutic strategies. <italic>Heliotropium indicum</italic> L. (Boraginaceae), a medicinal plant traditionally associated with diverse pharmacological activities,...

Topics

Open a Topic to create a Post that cites this publication.

Identifiers and source

Literature Corpus work
3b1c13cd-75ab-5e7d-ba64-781f8a49c095
DOI
10.21203/rs.3.rs-9732760/v1
Open publication

Related research

Semantic proximity does not establish scientific evidence.

Click a neighbor to travelStep 1 · 12 closest
Interactive article relationship graphSelect a related publication card to move it into the centre and load its closest explainable connections. Solid lines are source-backed structured connections. Dashed lines are semantic discovery signals and are not scientific evidence.
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 LearningDOI 10.21203/rs.3.rs-9732760/v1
Integrated Network Pharmacology Reveal New Key Curcumin-Binding Targets in Triple-Negative Breast CancerSemantic proximity
NPDI-BcCov: A Network Pharmacology Approach for Simultaneous Inference of Drugs Targeting Breast Cancer and COVID-19Semantic proximity
Molecular Docking Appraisal of Dysphania ambrosioides Phytochemicals as Potential Inhibitor of a Key Triple-negative Breast Cancer Driver GeneSemantic proximity
Multitarget Design of Steroidal Inhibitors Against Hormone-Dependent Breast Cancer: An Integrated In Silico ApproachSemantic proximity
Molecular docking and MD simulation approach to identify potential phytochemical lead molecule against triple negative breast cancerSemantic proximity
Integrative in-silico analysis on phytocompounds of Pajanelia longifolia against hepatocellular carcinoma: gene network target identification, molecular docking, simulation and ADMET profilingSemantic proximity
Molecular Targets and Mechanisms of Piperine Against Breast Cancer: A Network Pharmacology, Molecular Docking Analysis, and Toxicity PredictionSemantic proximity
Validating linalool as a potential drug for breast cancer treatment based on machine learning and molecular dockingSemantic proximity
Combined kinome inhibition states are predictive of cancer cell line sensitivity to kinase inhibitor combination therapiesSemantic proximity
Exploring Moringa oleifera Phytochemicals as Potential Inhibitors for HIF- 1α/VEGF/GLUT1 pathway in Breast Cancer Using Molecular Docking, MD Simulations, and DFT AnalysisSemantic proximity
An Integrative Drug Repurposing Pipeline: Switching Viral Drugs to Breast Cancer.Semantic proximity
Network Pharmacology-guided Identification and Molecular Validation of Multi-Target Phytoconstituents from Gmelina arborea against Alzheimer’s DiseaseSemantic proximity
Select a neighboring publication to make it the new centre.