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Method for screening microRNA micromolecular compound inhibitor

A technology for the screening of small molecule compounds and inhibitors, applied in biochemical equipment and methods, microbial assays/tests, etc., can solve the problems of efficiency and safety, can not meet the requirements of clinical application, antisense inhibition method in vivo administration difficulties, etc.

Inactive Publication Date: 2010-05-26
上海敏芯信息科技有限公司
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Problems solved by technology

[0004] However, the antisense inhibition method has the problem of difficult administration in vivo
The current various methods of delivering RNA to the body, including chemical transfection reagents and viral vectors, have efficiency and safety issues, so they have not been able to meet the requirements of clinical application

Method used

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  • Method for screening microRNA micromolecular compound inhibitor
  • Method for screening microRNA micromolecular compound inhibitor
  • Method for screening microRNA micromolecular compound inhibitor

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Experimental program
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Embodiment Construction

[0012] ginseng figure 1 Shown, in the method described in the present invention, main process is:

[0013] Step 1, the construction and optimization of the three-dimensional structural model of the microRNA precursor sequence;

[0014] Step 2, obtaining small molecule compounds;

[0015] Step 3, molecular docking;

[0016] Step 4, Filter Non-Specific Binding Compounds

[0017] The following is a specific description:

[0018] Step 1. First from the Sanger database ( http: / / microrna.sanger.ac.uk / sequences / ) to obtain the sequence of the microRNA precursor, and the sequence tertiary structure model was obtained by MC-SYM software ( http: / / www.major.iric.ca / MC-Pipeline / ), and use the TINKER software package ( http: / / dasher.wustl.edu / tinker / ) for energy optimization.

[0019] Step 2. Obtaining small molecule compounds. By screening the NCI database (http: / / dtp.nci.nih.gov), 2000 compounds with drug potential were screened out, and the three-dimensional structur...

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Abstract

The invention provides a method for screening a microRNA micromolecular compound inhibitor, belongs to the field of biotechnology, and relates to an aspect of medicinal design. The method mainly comprises the following steps of: 1, constructing and optimizing a three dimensional structure model of a microRNA precursor sequence; 2, obtaining micromolecular compounds; 3, performing molecular docking; and 4, filtering non-specific combination compounds. The method has the advantages that: a computer is used for virtual screening, so that the method of the invention is time saving and labor saving compared with the traditional method; and the structural screening based microRNA inhibitor can ensure the specificity of the inhibitor, and the inhibitor can have the inhibiting effect only on single microRNA without influencing other microRNA. The micromolecular medicaments developed by the method do not need a transfection reagent in the process of administration and can be injected or orally taken, so that the micromolecular medicaments are conveniently used and effective.

Description

technical field [0001] The invention belongs to the field of biotechnology and relates to the aspect of drug design. Background technique [0002] MicroRNA A (microRNA) is a single-stranded endogenous non-coding small RNA with a length of 18-25 nucleotides. It mainly inhibits its translation by completely or incompletely pairing with the 3' untranslated region of the target gene, thereby participating in the regulation of life activities such as individual development, cell apoptosis, proliferation and differentiation. Under pathological conditions, microRNAs can affect the occurrence and development of tumors by regulating their target genes and the signaling pathways they participate in, and play a role similar to oncogenes or tumor suppressor genes. Experiments have shown that in many tumors, some types of microRNAs are highly expressed, and these highly expressed microRNAs are related to tumor invasion and metastasis. These microRNAs provide new strategies for tumor di...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): C12Q1/68
Inventor 刘极龙曾华宗荆清
Owner 上海敏芯信息科技有限公司
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