Dicarboxylic Acid Bisamide Chelators for Selective Metal Ion Binding
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Solution Overview
Problem
Current chelation therapies for treating various diseases, including cardiovascular, viral, and neurodegenerative conditions, face challenges due to the toxicity of strong chelators and limited effectiveness of existing compounds, particularly in targeting specific metal ions like zinc in viral proteins and hepatitis C virus RNA-dependent RNA polymerase.
Innovation Solution
Development of dicarboxylic acid bisamide derivatives that can chelate metal ions such as Zn, Cu, Fe, and Mg, which are used to form complexes and treat a wide range of diseases by exploiting their ability to interact with metal ions, including those involved in viral and neurodegenerative processes, through specific ligand binding.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If strong chelators are used for chelation therapy, then chelating efficiency is improved, but toxicity increases
Solution Approach 1:
The patent applies local quality by designing chelators with specific functional group arrangements that provide selective binding sites for target metal ions. The chelators contain nitrogen-containing heterocyclic rings (imidazole, pyrazole, triazole) with specific donor atoms positioned to create localized high-affinity binding sites for zinc, copper, and other transition metals, while maintaining lower overall reactivity to reduce toxicity to biological systems.
Solution Approach 2:
The patent employs parameter changes by systematically varying the structural parameters of chelator molecules, including the type of nitrogen-containing heterocyclic ring, the number and position of donor atoms, the length of connecting chains, and the overall molecular geometry. These parameter modifications allow tuning of chelating strength and selectivity to achieve high efficiency for target metal ions while reducing non-specific binding and toxic effects.
2Reliability
If existing chelators are used, then some therapeutic effect is achieved, but selectivity for specific metal ions is insufficient
Solution Approach 1:
The patent achieves metal ion selectivity through local quality by incorporating specific nitrogen-containing heterocyclic structures with characteristic donor atom arrangements. The imidazole, pyrazole, and triazole rings provide specific nitrogen lone pairs that match the coordination preferences of zinc, copper, and other transition metals, enabling selective chelation. The spatial arrangement of these donor atoms creates binding pockets with specific geometry and electronic properties that discriminate between different metal ions.
Solution Approach 2:
The patent applies composite material principles by combining multiple functional groups within a single chelator molecule: nitrogen-containing heterocyclic rings for selective metal binding, carboxylate groups for additional coordination and solubility, and hydrocarbon chains for membrane permeability. This composite structure integrates multiple functions (selective binding, solubility, cellular uptake) into a single molecular entity that achieves both therapeutic effect and metal ion specificity.
Applied Scientific Principles
This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.
Function Achieved in This Case
The dicarboxylic acid bisamide derivatives effectively chelate metal ions, providing a therapeutic benefit in treating cardiovascular, viral, neurodegenerative, and other diseases while minimizing toxicity, offering a promising alternative to existing chelation therapies.
Implementation Method 1
dicarboxylic acid bisamide derivatives that can chelate metal ions such as Zn, Cu, Fe, and Mg, which are used to form complexes
Implementation Method 2
able to form complexes with, or chelate metal ions
Data Source
AI summary
The present invention relates to novel biologically active compounds, in particular dicarboxylic acid bisamide derivatives of general formula I: or pharmaceutically acceptable salts thereof, which are able to form complexes with or chelate metal ions. The invention also relates to the use of said compounds as an agent for the prevention and/or treatment of cardiovascular, viral, cancer, neurodegenerative and inflammatory diseases, diabetes, age-related diseases, diseases caused by microbial toxins, alcoholism and alcoholic cirrhosis, anaemia, porphyria cutanea tarda, and transition metal salt poisoning. The present invention also relates to novel methods for preparing dicarboxylic acid bisamide derivatives of general formula I.