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.

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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