Related Experiment Video
Updated: Mar 18, 2026
Author Spotlight: Exploring Salidroside's Molecular Mechanisms in Breast Cancer Treatment
Published on: June 9, 2023
Garlic Phytocompounds Possess Anticancer Activity by Specifically Targeting Breast Cancer Biomarkers - an in Silico
Nabarun Roy1, Sangeetha Davis, Arunaksharan Narayanankutty
1Distributed Information Centre, Kerala Agricultural University, Kerala, India
Background:
Breast cancer (BC) is a serious lifestyle disease. There are several prognostic biomarkers like nuclear receptors whose over-expression is associated with BC characteristics. These biomarkers can be blocked by compounds with anti-cancer potential but selection must be made on the basis of no adverse side effects. This study is focused on finding of compounds from a plant source garlic.
Materials And Methods:
Twenty compounds from garlic and five targets considered involved in BC were retrieved from Pubchem database and Protein Data Bank respectively. They were docked using Accelrys Discovery Studio (DS) 4.0. The compounds which showed interaction were checked for drug likeliness.
Results:
Docking studies and ADMET evaluation revealed twelve compounds to be active against the targets. All the compounds displayed highly negative dock scores which indicated good interactions.
Conclusions:
The results of this study should help researchers and scientists in the pharmaceutical field to identify drugs based on garlic.
Insights
Researchers identified twelve active compounds from garlic with potential anti-cancer properties. These compounds showed good interactions with breast cancer (BC) targets, offering a natural source for drug discovery.
Area of Science:
- Biochemistry
- Pharmacology
- Computational Chemistry
Background:
- Breast cancer (BC) is a significant lifestyle disease.
- Nuclear receptors are prognostic biomarkers associated with BC characteristics.
- Identifying safe, plant-derived compounds for therapeutic intervention is crucial.
Purpose of the Study:
- To identify potential anti-cancer compounds from garlic.
- To evaluate the interaction of garlic compounds with BC-related targets.
- To assess the drug-likeness and safety profile of identified compounds.
Main Methods:
- Compounds from garlic and BC targets were retrieved from PubChem and Protein Data Bank.
- Molecular docking was performed using Accelrys Discovery Studio (DS) 4.0.
- Drug-likeness and ADMET properties were evaluated for selected compounds.
Main Results:
- Twelve compounds from garlic demonstrated activity against BC targets.
- Docking studies revealed highly negative dock scores, indicating strong interactions.
- ADMET evaluation supported the potential therapeutic utility of these compounds.
Conclusions:
- Garlic contains compounds with significant potential for breast cancer treatment.
- The identified compounds can serve as a basis for developing novel pharmaceutical drugs.
- This research aids in the discovery of natural product-based therapeutics for breast cancer.
More Related Videos
07:48Utilizing Functional Genomics Screening to Identify Potentially Novel Drug Targets in Cancer Cell Spheroid Cultures
Published on: December 26, 2016
13:38Synthesis and Characterization of an Aspirin-fumarate Prodrug that Inhibits NFκB Activity and Breast Cancer Stem Cells
Published on: January 18, 2017