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Small molecule inhibitor SLD4650 and application thereof to pharmaceuticals

A technology of small molecule inhibitors and drugs, applied in drug combinations, antineoplastic drugs, organic chemistry, etc., can solve the problems of little effect, low toxicity effect, and insignificant effect of advanced breast cancer

Active Publication Date: 2018-04-13
CHINA THREE GORGES UNIV
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

However, in the phase II clinical study, it was found that BENSpm as a single drug has no significant effect on the treatment of advanced breast cancer, and the extended experiment for this study shows that BENSpm has a synergistic effect when used in combination with other conventional chemotherapy drugs
The second-generation spermine analog CPENSpm has lower toxicity and more significant effect than the first generation, but CPENSpm and BENSpm face the same problem and must be used in combination with other chemotherapy drugs
Although BENSpm and CPENSpm have good prospects for clinical application from the results of preclinical experiments, they have had little effect in phase I and II clinical trials

Method used

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  • Small molecule inhibitor SLD4650 and application thereof to pharmaceuticals
  • Small molecule inhibitor SLD4650 and application thereof to pharmaceuticals
  • Small molecule inhibitor SLD4650 and application thereof to pharmaceuticals

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Experimental program
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Effect test

Embodiment Construction

[0034] A small molecule inhibitor SLD4650, the specific structural formula is:

[0035]

[0036] The results of the pharmacophore are as follows:

[0037] In the complex structure, many hydrogen bond interactions are formed between Spd and SMO. In order to ensure the rationality of the pharmacophore model, we only retained two pairs of key hydrogen bond characteristic elements. In addition, in order to ensure the diversity of the structure, after analyzing the characteristics of the active pocket, we added a set of hydrogen bond characteristic elements P1-Ser O based on the acceptor amino acid. details as follows( figure 1 ): Two donor centers-P1-Ser O and P3-Glu O.

[0038] Molecular docking results

[0039] The compound obtained through the pharmacophore model above is molecularly docked, and the compound is scored according to the docking energy to be combined in the active pocket defined by the docking. figure 2 It is defined as the combination mode diagram of SLD4650.

[0040] ...

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Abstract

The invention provides a small molecule inhibitor SLD4650. A structural formula of the small molecule inhibitor is shown in the description. The invention also discloses application of the small molecule inhibitor SLD4650 to preparation of medicines for inhibiting spermine oxidase. A result shows that the SLD4650 changes a cell growth period of human small-cell lung cancer A549, changes cell period protein expression content of the A549, and also can induce A549 cell apoptosis.

Description

Technical field [0001] The present invention provides a small molecule inhibitor that inhibits spermine oxidase, and at the same time the application of the small molecule inhibitor for preparing drugs for treating tumor diseases. Background technique [0002] Polyamines (putrescine, spermidine and spermine) are small organic compounds that are widely found in eukaryotic cells and participate in important physiological functions such as cell differentiation, proliferation, and gene regulation. Studies have found that high levels of polyamines in cells are necessary for the rapid growth of tumor cells. As a result, the pathway of polyamine metabolism has gradually become a new target for anti-tumor therapy and drug design. Spermine oxidase (SMO) is a key enzyme involved in the degradation and metabolism of polyamines. The enzyme is a FAD (flavin adenine dinucleotide) dependent oxidase. Spm) oxidation is the preferred substrate decomposition route. The products of this enzyme are...

Claims

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Application Information

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IPC IPC(8): C07D215/48A61P35/00A61P35/04
CPCC07D215/48
Inventor 杨建林王艳林曹春雨孙丽丹秦宇
Owner CHINA THREE GORGES UNIV
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