Ergoline Analogues for Receptor Binding Efficacy
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Solution Overview
Problem
There is a need for ergoline analogues with improved activity and binding efficacy to receptor sites, as existing modifications often result in decreased activity due to ineffective docking/binding.
Innovation Solution
A compound of Formula (I) is disclosed, where X is selected from H or C1-6 alkyl, Y is a bond or various functional groups, and Z is a range of functional groups including heteroaromatic and heterocyclic groups, with the option of being a pharmaceutically acceptable salt.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Adaptability or versatility
If structural modifications are made to LSD, then chemical diversity is increased, but binding activity to receptors decreases
Solution Approach 1:
The patent applies local quality by making specific, targeted modifications at particular positions (C-8, C-9, C-10) of the ergoline core structure while keeping other regions intact. This selective modification approach maintains the essential binding pharmacophore elements while introducing chemical diversity through controlled variations in specific locations, thereby preserving binding activity while achieving structural variety.
Solution Approach 2:
The patent employs parameter changes by systematically varying substituent types, positions, and configurations at specific ring positions. By changing parameters such as substituent identity (e.g., different groups at C-8), position (C-8 vs C-9 vs C-10), and stereochemistry, the patent achieves chemical diversity while maintaining binding activity through preservation of key structural features essential for receptor interaction.
2Adaptability or versatility
If extensive structural modifications are made to ergoline, then chemical variety increases, but docking efficacy to receptors worsens
Solution Approach 1:
The patent maintains docking efficacy by applying local quality modifications only at specific positions (C-8, C-9, C-10) rather than throughout the entire molecule. This localized approach allows chemical variety to be introduced through targeted substituents while preserving the overall molecular architecture and key binding elements required for effective receptor docking.
Solution Approach 2:
The patent applies preliminary action by pre-establishing the core ergoline structure with essential binding pharmacophore elements before introducing modifications. By securing the fundamental structural framework that ensures proper docking geometry and key interactions first, the patent then allows for subsequent chemical variety to be introduced at peripheral positions without compromising docking efficacy.
Data Source
AI summary
This invention relates to pharmaceutically acceptable ergoline analogues and salts thereof. In particular, though not exclusively, the invention relates to formulations and uses of the same as a medicament.