The use of metal associated with bioactive molecules of natural/synthetic origin (ligands) has been identified as a promising strategy for the design and development of new metal-ligand complexes with improved biological and physicochemical properties over that of the parent molecules. The inclusion of a metal atom in a bioactive molecule changes its solubility, lipophilicity, and stability in biological systems. This improves bioavailability, enabling the metal-ligand complexes to reach biological targets more efficiently, and reduces the toxicity of the bioactive ligand. The extent of these changes varies depending on the metal coordination sites, the type of metal ion used, and the metal to ligand molar ratio in the complexes.
Many metal-ligand complexes have already been reported to exhibit interesting pharmacological activity, mainly as antitumor, antimicrobial and anti-oxidant agents that could be relevant to tackle cancer, infections and neurodegenerative diseases, respectively. There remain many other diseases where the therapeutic potential of biologically-active metal-ligand complexes based on either natural or synthetic chemical scaffolds could be further explored for the development of new metal-based drugs. The aim of this Research Topic is to advance our understanding in the field of bioactive metal-complexed molecules of natural and synthetic origin and their therapeutic potential.
In this Research Topic, we welcome original research and review articles that will highlight recent advances in the field of metal-based drugs, including but not limited to studies on the;
- Synthesis, structural characterization, and biological evaluation of novel metal-ligand complexes
- DFT and/or TD-DFT investigations of bioactive metal-ligand complexes
- Molecular docking/molecular dynamics simulation of bioactive metal-ligand complexes
- Identification of previously unreported biological properties for metal-ligand complexes
- Pharmacokinetic and drug-likeness properties of bioactive metal-ligand complexes
- Critical reviews on the contribution of bioactive metal-ligand complexes to drug discovery research
Important note: All manuscripts submitted to this collection will need to follow the Guidelines for the conception/peer-review of submissions of the Experimental Pharmacology and Drug Discovery Section. Studies carried out with crude extracts/multiherbal preparations or Original Research based solely on in silico techniques will not be considered for review.
The use of metal associated with bioactive molecules of natural/synthetic origin (ligands) has been identified as a promising strategy for the design and development of new metal-ligand complexes with improved biological and physicochemical properties over that of the parent molecules. The inclusion of a metal atom in a bioactive molecule changes its solubility, lipophilicity, and stability in biological systems. This improves bioavailability, enabling the metal-ligand complexes to reach biological targets more efficiently, and reduces the toxicity of the bioactive ligand. The extent of these changes varies depending on the metal coordination sites, the type of metal ion used, and the metal to ligand molar ratio in the complexes.
Many metal-ligand complexes have already been reported to exhibit interesting pharmacological activity, mainly as antitumor, antimicrobial and anti-oxidant agents that could be relevant to tackle cancer, infections and neurodegenerative diseases, respectively. There remain many other diseases where the therapeutic potential of biologically-active metal-ligand complexes based on either natural or synthetic chemical scaffolds could be further explored for the development of new metal-based drugs. The aim of this Research Topic is to advance our understanding in the field of bioactive metal-complexed molecules of natural and synthetic origin and their therapeutic potential.
In this Research Topic, we welcome original research and review articles that will highlight recent advances in the field of metal-based drugs, including but not limited to studies on the;
- Synthesis, structural characterization, and biological evaluation of novel metal-ligand complexes
- DFT and/or TD-DFT investigations of bioactive metal-ligand complexes
- Molecular docking/molecular dynamics simulation of bioactive metal-ligand complexes
- Identification of previously unreported biological properties for metal-ligand complexes
- Pharmacokinetic and drug-likeness properties of bioactive metal-ligand complexes
- Critical reviews on the contribution of bioactive metal-ligand complexes to drug discovery research
Important note: All manuscripts submitted to this collection will need to follow the Guidelines for the conception/peer-review of submissions of the Experimental Pharmacology and Drug Discovery Section. Studies carried out with crude extracts/multiherbal preparations or Original Research based solely on in silico techniques will not be considered for review.