Cannabinergic Nitrate Esters for Dual Receptor Binding and NO Donation
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Solution Overview
Problem
Current cannabinergic compounds, particularly cannabinergic nitrate esters, face challenges in effectively modulating CB1, CB2, and GPR55 receptor activities for therapeutic applications due to limitations in agonism, antagonism, and allosteric modulation, with a need for compounds that can act as both nitric oxide donors and receptor binders with improved physicochemical properties.
Innovation Solution
Development of novel cannabinergic nitrate ester compounds that can bind covalently to CB1, CB2, and GPR55 receptors, act as agonists, antagonists, or allosteric modulators, and function as nitric oxide donors, with specific structural features allowing dual functional behavior and improved physicochemical properties.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Adaptability or versatility
If novel cannabinergic nitrate ester compounds are designed to bind covalently to CB1, CB2, and GPR55 receptors and act as nitric oxide donors, then dual functional behavior and improved therapeutic potential are achieved, but molecular complexity and synthesis difficulty increase
Solution Approach 1:
The patent combines two distinct functional capabilities into a single molecular entity: (1) cannabinergic activity through covalent binding to CB1, CB2, and GPR55 receptors, and (2) nitric oxide donor functionality. This merging of functions into one compound enables dual therapeutic mechanisms while managing molecular complexity through strategic structural design.
Solution Approach 2:
The compounds are designed to interact with multiple receptor targets (CB1, CB2, and GPR55) simultaneously, providing multi-functional pharmacological activity. This universal binding capability allows a single compound to modulate diverse physiological pathways through different receptor mechanisms.
2Reliability
If compounds are designed to effectively modulate receptor activities with predictable onset and duration of action, then therapeutic efficacy is improved, but structural precision requirements increase
Solution Approach 1:
The patent introduces specific localized structural features at key positions within the molecular framework: a nitrate ester group at one location provides controlled nitric oxide release, while specific substituents at other positions (R1-R6) are optimized for receptor binding affinity and covalent interaction. This local optimization of functional groups enables predictable pharmacological behavior.
Solution Approach 2:
The compounds utilize modifiable parameters including the nature of substituents (R1-R6), the presence of double bonds (C), and the specific structure of rings A, B, and C. By systematically varying these parameters, the patent optimizes both the onset and duration of action while maintaining structural feasibility for synthesis.
3Reliability
If compounds are developed with improved bioavailability properties, then therapeutic delivery is enhanced, but formulation complexity increases
Solution Approach 1:
The patent optimizes bioavailability through systematic variation of molecular parameters including the selection of lipophilic substituents (R1-R6), the configuration of aromatic rings (A, B, C), and the nitrate ester group positioning. These parameter changes enhance membrane permeability and metabolic stability, improving oral and parenteral bioavailability.
Solution Approach 2:
The compounds incorporate composite structural elements combining aromatic ring systems, aliphatic chains, heterocyclic groups, and nitrate ester functionalities. This composite molecular architecture provides both the necessary receptor affinity and improved pharmacokinetic properties for enhanced therapeutic delivery.
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
These compounds demonstrate enhanced therapeutic potential by effectively modulating receptor activities, offering predictable onset and duration of action, and improved bioavailability, addressing the limitations of existing cannabinergic agents.
Implementation Method 1
function as nitric oxide donors
Implementation Method 2
bind covalently to CB1, CB2, and GPR55 receptors
Data Source
AI summary
The present technology relates to novel cannabinergic nitrate esters and related analogs, process of preparation, pharmaceutical compositions and their methods of use as medicaments, pharmacological tools and/or biomarkers. The novel cannabinergic nitrate ester compounds provide medicaments useful in treating a variety of diseases and medical disorders.