Molecular hybridization: a powerful tool for multitarget drug discovery

Area of Science:

• Medicinal Chemistry
• Drug Discovery
• Pharmacology

Background:

• The paradigm of 'one drug, multiple targets' is gaining traction due to the need for treatments for multifactorial chronic diseases.
• Molecular hybridization has emerged as a significant strategy for designing multi-target drugs over the past two decades.

Purpose of the Study:

• To review the current applications of molecular hybridization in the discovery of multitarget small molecules.
• To discuss design strategies and target selection for multitarget polypharmacology.
• To highlight the treatment of various diseases including cancer, Alzheimer's disease, cardiac arrhythmia, endometriosis, and inflammatory diseases.

Main Methods:

• Review of current literature on molecular hybridization for multitarget drug discovery.
• Analysis of design strategies and target selection principles.
• Examination of case studies across diverse therapeutic areas.

Main Results:

• Molecular hybridization is a powerful tool for creating multitarget drugs.
• The strategy has been successfully applied to various diseases, including cancer and neurodegenerative disorders.
• Focus has been on specific targets like histone deacetylases and cholinesterases.

Conclusions:

• Molecular hybridization is vital for discovering multitarget bioactive compounds.
• There is a need to explore a wider range of target combinations beyond historically focused targets.
• Encouraging broader exploration will enhance the utility of molecular hybridization in drug discovery.