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Published on: June 20, 2025
Current Scenario in Structure and Ligand-Based Drug Design on Anti-colon Cancer Drugs
Lakshmanan Loganathan1, Karthikeyan Muthusamy1
1Department of Bioinformatics, Faculty and Science, Alagappa University, Karaikudi, Tamil Nadu, India.
Abstract:
Worldwide, colorectal cancer takes up the third position in commonly detected cancer and fourth in cancer mortality. Recent progress in molecular modeling studies has led to significant success in drug discovery using structure and ligand-based methods. This study highlights aspects of the anticancer drug design. The structure and ligand-based drug design are discussed to investigate the molecular and quantum mechanics in anti-cancer drugs. Recent advances in anticancer agent identification driven by structural and molecular insights are presented. As a result, the recent advances in the field and the current scenario in drug designing of cancer drugs are discussed. This review provides information on how cancer drugs were formulated and identified using computational power by the drug discovery society.
Insights
This review explores computational methods for designing anticancer drugs, focusing on structure and ligand-based approaches. It highlights recent advances in identifying cancer drugs using molecular and quantum mechanics for improved cancer treatment.
Area of Science:
- Computational chemistry and molecular modeling.
- Drug discovery and medicinal chemistry.
- Oncology and cancer research.
Background:
- Colorectal cancer is a leading cause of cancer incidence and mortality globally.
- Molecular modeling has significantly advanced drug discovery through structure- and ligand-based methods.
- Understanding molecular and quantum mechanics is crucial for effective anticancer drug design.
Purpose of the Study:
- To highlight key aspects of anticancer drug design.
- To discuss structure- and ligand-based drug design strategies.
- To present recent advances in identifying anticancer agents using computational insights.
Main Methods:
- Review of molecular modeling studies.
- Analysis of structure-based drug design principles.
- Investigation of ligand-based drug design methodologies.
- Exploration of quantum mechanics in anti-cancer drug development.
Main Results:
- Significant progress in drug discovery using molecular modeling techniques.
- Identification of anticancer agents driven by structural and molecular insights.
- Discussion of the current landscape and recent advancements in cancer drug design.
Conclusions:
- Computational power is revolutionizing cancer drug formulation and identification.
- Structure- and ligand-based design methods are pivotal in developing novel anticancer therapeutics.
- The study provides insights into the computational approaches employed by the drug discovery society for cancer drugs.
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