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Application of a compound in the preparation of antitumor drugs

A technology of composition and medicinal salt, applied in the application field of ZINC65387069 in the preparation of antitumor drugs, can solve the problems of ZINC65387069 that have not been published in research, and achieve the effects of simple structure, inhibition of cell migration, and small molecular weight

Active Publication Date: 2022-07-26
SOUTHERN MEDICAL UNIVERSITY
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

[0008] To date, no studies have disclosed what activity ZINC65387069 has

Method used

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  • Application of a compound in the preparation of antitumor drugs
  • Application of a compound in the preparation of antitumor drugs
  • Application of a compound in the preparation of antitumor drugs

Examples

Experimental program
Comparison scheme
Effect test

Embodiment Construction

[0031] Target protein analysis of ZINC65387069

[0032] In order to clarify the target binding protein of the compound ZINC65387069, the inventors predicted the target protein that can bind to ZINC65387069 through four tools: DRAR-CPI, PharmMapper, ROCS, and SwissTargetPrediction.

[0033] Molecular Properties Analysis of ZINC65387069

[0034] The inventors analyzed the kinase inhibitory activity and various molecular properties of ZINC65387069 through the Molinspiration tool, including lipid-water partition coefficient (miLogP), polar surface area (TPSA), molecular weight, molecular volume and other information.

[0035] Experimental validation of ZINC65387069 against colorectal cancer

[0036] In order to further clarify the inhibitory efficiency of ZINC65387069 on colorectal cancer, the inventors verified the effect of ZINC65387069 on colorectal cancer cell migration, apoptosis, cytoskeleton and BRAF protein phosphorylation through the following experiments.

[0037] 1.5....

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Abstract

The invention discloses the application of a compound in the preparation of antitumor drugs. The inventor's research found that ZINC65387069 has strong kinase inhibitory activity, relatively high water solubility, low polar surface area, and small molecular weight and molecular volume. The phosphorylation level of BRAF protein in colorectal cancer cells treated with ZINC65387069 was significantly inhibited. By detecting the effect of ZINC65387069 on colorectal cancer cell migration, apoptosis and cytoskeleton, ZINC65387069 can inhibit cell migration, destroy cytoskeleton and promote cell apoptosis. ZINC65387069 has the characteristics of simple structure and small molecular weight, which is expected to be used as a lead compound for further structural optimization, and then to develop more effective anti-tumor drugs.

Description

technical field [0001] The present invention relates to a new application of a compound, in particular to a new application of ZINC65387069, in particular to the application of ZINC65387069 in the preparation of antitumor drugs. Background technique [0002] Cancer (malignant tumors) is a general term for a group of diseases that can affect any part of the body. Cancer rapidly produces abnormal cells that grow beyond their natural boundaries and can invade adjacent parts of the body and spread to other organs. The latter is called metastasis, and metastasis is one of the important causes of death from cancer. As such, cancer is a leading cause of death worldwide, accounting for 8.8 million deaths in 2015. The most common cancer types were: lung cancer (1.69 million deaths), liver cancer (788,000 deaths), colorectal cancer (774,000 deaths), gastric cancer (754,000 deaths), and breast cancer (571,000 deaths). It is very important to develop effective anticancer drugs. [0...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): A61K31/506A61P35/00A61P35/02
CPCA61K31/506A61P35/00A61P35/02
Inventor 齐鲁张颖丁彦青韩悦
Owner SOUTHERN MEDICAL UNIVERSITY
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