Anticancer Drug Discovery By Structure-Based Repositioning Approach

Area of Science:

• Oncology
• Pharmacology
• Computational Chemistry

Background:

• Cancer remains a leading global cause of death despite advances in science and medicine.
• Developing novel anticancer drugs is costly and has uncertain success rates.
• Drug discovery faces significant challenges, necessitating innovative approaches.

Approach:

• Drug repurposing identifies new therapeutic indications for existing, approved drugs.
• This involves screening known drugs for efficacy against different diseases.
• Structure-based drug design (SBDD) is employed for molecular modification and computational screening.

Key Points:

• Focuses on repurposing drugs used for diabetes, HIV infection, and inflammation as anticancer agents.
• Reviews literature on molecular modeling and SBDD for drug repurposing.
• Examines structural modifications and screening of repurposed drugs against cancer cell lines.

Conclusions:

• Drug repurposing offers a promising strategy to accelerate the development of novel anticancer therapies.
• Leveraging existing drug scaffolds can overcome traditional drug discovery hurdles.
• This approach holds potential for identifying effective treatments for various cancers.