Related Experiment Video
Updated: Jul 8, 2026
Building Up a High-throughput Screening Platform to Assess the Heterogeneity of HER2 Gene Amplification in Breast Cancers
Published on: December 5, 2017
Prioritization of phytochemical isolation and characterization against HER2 as a breast cancer target based on
B S Lakshmi1, Jayanna K Bidarur1, H G Anilkumar2
1Department of Chemistry, B. N. M. Institute of Technology Bengaluru - 560070 Karnataka India.
Abstract:
Cancer remains one of the leading causes of death globally. Over the past few decades, significant advancements in cancer diagnostics, prevention, and therapeutics have been achieved. However, developing effective treatments with minimal adverse effects remains the most critical challenge for the medical community. Breast cancer is the second most common cause of cancer-related death in women. Thus, there is a need for novel therapeutic strategies that can effectively cure cancer. In the present study, we extracted very efficient bioactive phytocompounds from the Vitex negundo plant species, which has shown abundant medicinal properties since ancient times. The extracted plant sample was isolated and purified using HPLC analysis and LC-MS techniques. The LC-MS studies revealed the presence of two important bioactive phytocompounds, artemetin and catechin, in the plant extract. The functional groups present in each phytochemical were evaluated by FTIR analysis. Quantitative Structure-Activity Relationship (QSAR) studies were performed to understand the structure-activity relationships of bioactive compounds virtually, thereby minimizing labor costs and time. Artemetin and Catechin extracted from plant samples were evaluated for their antioxidant activity and anticancer activity using in silico molecular docking studies. Further, the physicochemical properties of these phytocompounds were analyzed using density functional theory (DFT) studies. These results suggest the efficiency of the method used to isolate phytocompounds with target-specific activity.
Insights
This study identifies potent anticancer compounds, artemetin and catechin, from the Vitex negundo plant. These natural compounds show promise for developing effective cancer therapies with minimal side effects.
Area of Science:
- Phytochemistry
- Computational Chemistry
- Pharmacology
Background:
- Cancer, particularly breast cancer, remains a major global health challenge, necessitating novel therapeutic strategies.
- The Vitex negundo plant has historically demonstrated significant medicinal properties.
- Developing effective cancer treatments with reduced adverse effects is a critical unmet need.
Purpose of the Study:
- To isolate and identify bioactive phytocompounds from Vitex negundo with potential anticancer activity.
- To evaluate the antioxidant and anticancer potential of isolated compounds using computational methods.
- To analyze the structure-activity relationships and physicochemical properties of these compounds.
Main Methods:
- Phytocompounds were extracted from Vitex negundo and purified using High-Performance Liquid Chromatography (HPLC) and Liquid Chromatography-Mass Spectrometry (LC-MS).
- Fourier-Transform Infrared (FTIR) spectroscopy was used to identify functional groups.
- In silico methods, including Quantitative Structure-Activity Relationship (QSAR), molecular docking, and Density Functional Theory (DFT), were employed.
Main Results:
- LC-MS analysis confirmed the presence of two key bioactive phytocompounds: artemetin and catechin.
- In silico studies indicated significant antioxidant and anticancer activities for both artemetin and catechin.
- DFT analysis provided insights into the physicochemical properties and electronic structure of the compounds.
Conclusions:
- The study successfully isolated and characterized artemetin and catechin from Vitex negundo.
- These compounds exhibit promising anticancer and antioxidant potential, validated through computational analyses.
- The findings support the use of Vitex negundo-derived compounds as a basis for novel cancer therapeutics.
More Related Videos
08:20Systematic Approach to Identify Novel Antimicrobial and Antibiofilm Molecules from Plants' Extracts and Fractions to Prevent Dental Caries
Published on: March 31, 2021
13:19Quantifying Antibody-Dependent Cellular Cytotoxicity in a Tumor Spheroid Model: Application for Drug Discovery
Published on: April 26, 2024
