Acyl-hydrazone compounds for selective antileukemic activity

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Solution Overview

Problem

Current chemotherapeutic agents for leukemia and other proliferative diseases often cause significant toxicity to normal cells, leading to undesirable side effects, and there is a need for more selective and effective compounds that can target leukemic cells without affecting healthy cells.

Innovation Solution

Development of acyl-hydrazones and oxadiazoles derived from 3,4,5-trimethoxyphenyl-hydrazine, which inhibit tubulin, offering potential as selective antileukemic agents with reduced side effects by targeting leukemic cells while sparing normal cells.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If current chemotherapeutic agents are used to treat leukemia, then antileukemic activity is achieved, but toxicity to normal cells increases causing significant side effects

Engineering Contradiction:
Improveantileukemic activityVSAvoidtoxicity to normal cells
Core Design Contradiction:
ReliabilityVSObject-affected harmful factors

Solution Approach 1:

The patent applies local quality by designing compounds with specific molecular structures (acyl-hydrazones and oxadiazoles with particular substituent patterns) that confer selective affinity for leukemic cells. The compounds contain specific functional groups and substitution patterns (e.g., aryl, heteroaryl, alkyl groups at defined positions) that enable differential interaction with target proteins in leukemic versus normal cells, achieving localized therapeutic effect while sparing healthy tissue.

Inventive Principle:
Principle #3Local quality

Solution Approach 2:

The patent employs parameter changes by systematically varying molecular parameters of the compounds including substituent types (aryl, heteroaryl, alkyl), substitution patterns (2,4,6-trisubstituted phenyl), and structural modifications (oxadiazole ring formation) to optimize selectivity. These parameter variations enable fine-tuning of the compounds' biological properties to achieve higher antileukemic activity with reduced normal cell toxicity.

Inventive Principle:
Principle #35Parameter changes

2Object-affected harmful factors

If selective antileukemic compounds are developed, then side effects are reduced, but compound effectiveness and activity may be compromised

Engineering Contradiction:
Improveside effectsVSAvoidantileukemic activity
Core Design Contradiction:
Object-affected harmful factorsVSReliability

Solution Approach 1:

The patent applies composite materials by creating compounds that combine multiple functional moieties within a single molecular structure. The acyl-hydrazones and oxadiazoles contain composite structural elements including phenyl rings with specific substitution patterns, heteroatom-containing groups, and reactive functional groups that work synergistically to achieve both selectivity and potent antileukemic activity, effectively combining multiple beneficial properties in one compound.

Inventive Principle:
Principle #40Composite materials

Solution Approach 2:

The patent employs dynamics by designing compounds with flexible molecular structures that can adapt to different binding configurations. The acyl-hydrazones and oxadiazoles contain rotatable bonds and flexible substituent groups that enable the molecules to dynamically adjust their conformation to optimize interactions with target proteins in leukemic cells, maintaining high activity while preserving selectivity.

Inventive Principle:
Principle #15Dynamics

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 synthesized compounds demonstrate significant antileukemic activity, particularly against acute lymphoblastic leukemia (ALL), with mechanisms involving cell cycle arrest and apoptosis, showing selectivity for leukemic cells over healthy lymphocytes, thus potentially reducing toxicity.

Implementation Method 1

the invention relates to compounds where the action mechanism is through inhibition of tubulin

Methodology Applied
Scientific EffectTubulin inhibition:

Data Source

PatentEP2784061B1Acyl-hydrazone and oxadiazole compounds, pharmaceutical compositions containing the same and uses thereof
Publication Date: 2018.11.07 CENT INFANTIL DE INVESTIGACOES HEMATOLOGICAS DR
  • EP2784061B1 patent drawingFigure 1(A)~1(B)
  • EP2784061B1 patent drawingFigure 2~3
  • EP2784061B1 patent drawingFigure 4~5

AI summary

The present invention relates to acyl-hydrazone compounds, in particular 3,4,5-trimethoxyphenyl-hydrazide derivatives, as well as the oxadiazole analogs thereof and other similar compounds, and to the pharmaceutical use of the same for the treatment of various diseases associated with cell proliferation, such as leukemias, including acute lymphoblastic leukemia (ALL), tumours and inflammation. Acyl-hydrazones have been obtained having activity similar to that of the compound used as a standard in experiments (colchicine). The greater selectivity of the compounds according to the invention is an important feature, associated with fewer side effects than the pharmaceuticals used at present in clinical treatments. The synthetised acyl-hydrazones, more particularly the compounds 02 and 07, exhibited important anti-leukemic activity, which suggests 02 and 07 as candidates to pharmaceutical prototypes, or to pharmaceuticals for the treatment of leukemias, in particular acute lymphoblastic leukemia (ALL), tumours and other proliferative diseases, such as inflammation. The action mechanism of the most active compounds was determined by using DNA microarrays and subsequent tests indicated by the chip, besides selectivity studies in healthy human lymphocytes.