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Target gene rv2780 for anti-tuberculosis inhibitor screening and its application

An rv2780 and gene technology, which is applied in the application field of the Mycobacterium tuberculosis gene Rv2780 in the screening of anti-tuberculosis inhibitor targets, and achieves the effects of less workload, less resistance to drug resistance, and high hit rate

Inactive Publication Date: 2015-11-11
HUAZHONG AGRI UNIV
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

However, so far, no one has reported inhibitors of Rv2780 with anti-tuberculosis effects

Method used

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  • Target gene rv2780 for anti-tuberculosis inhibitor screening and its application
  • Target gene rv2780 for anti-tuberculosis inhibitor screening and its application
  • Target gene rv2780 for anti-tuberculosis inhibitor screening and its application

Examples

Experimental program
Comparison scheme
Effect test

Embodiment 1

[0022] Example 1. Establishment of a computerized drug screening system for Mycobacterium tuberculosis Rv2780

[0023] In this example, the operating system used to construct the computerized drug screening system against Mycobacterium tuberculosis Rv2780 is the Linux operating system, and the distribution version is FedoraCore7-i386 version. The chimera software is free to download from the Internet (http: / / www.cgl.ccsf.edu / chimera / ), and it can be installed and run directly after downloading. The Dms source code package is downloaded free from the Internet (http: / / www.cgl.ucsf.edu / Overview / softwarc.htm]#dms), compiled on the local linux computer to obtain an executable binary program, and then installed. By signing a use agreement with the Kuntz Laboratory of the University of California, USA, the DOCK software license is obtained. Obtain the source code (version 6.1) of the DOCK software package through the network (http: / / dock.compbio.ucsf.edu / DOCK_6 / index.htm), compile t...

Embodiment 2

[0024] Example 2. Use the computer drug screening system of step 1 to screen compounds with high affinity to the active site of Mycobacterium tuberculosis Rv2780 from the ZINC database

[0025]The small molecule compound database in this example comes from the ZINC database. ZINC is a free-to-use compound database for virtual screening, established and maintained by Shoichet's research group at the Department of Medicinal Chemistry, University of California, USA. The data in the ZINC database can be downloaded free of charge in various file formats such as SMILES, mol2, 3DSDF, etc. It is especially suitable for virtual screening strategies based on molecular docking, and the mol2 format can be directly used as the input file of the DOCK program. ZINC is a constantly updated database, and the data used in this embodiment is ZINC7 (http: / / blasterdocking.org / zinc7 / ). The amount of data contained in the ZINC database is huge, but it provides a variety of ways to enable users to o...

Embodiment 3

[0030] The cultivation of embodiment 3 bacterial strains and the preparation of liquid inhibitor

[0031] Preparation of test strains:

[0032] The test material of this embodiment relates to Mycobacterium smegmatis bacterial strains (the source of public acquisition of Mycobacterium smegmatis bacterial strains: China Medical Bacteria Collection Management Center, the bacterial strain number is: 93202. Website: http: / / www.cmccb.org. cn / ), Mycobacterium bovis strains (the source of public acquisition of Mycobacterium bovis strains: China Medical Bacteria Collection Management Center, the strain number is: 93006. Website: http: / / www.cmccb.org.cn / ) , Mycobacterium tuberculosis strains (the source of public acquisition of Mycobacterium tuberculosis strains: China Medical Bacteria Collection Management Center, strain number: 93004. Website: http: / / www.cmccb.org.cn / ).

[0033] Components and preparation of liquid screening medium:

[0034] Add 90ml of commercially available 7H9 li...

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Abstract

The invention belongs to the technical field of drug molecules and particularly relates to an application of mycobacterium tuberculosis Rv2780 in screening an antituberculous inhibitor target. The gene is characterized in that a nucleotide sequence of the gene is as shown in a sequence table: sequencer (SEQ) ID NO: 1, and a coded protein sequence of the gene is as shown in the sequence table: sequencer (SEQ) ID NO: 2. Fifteen small molecule compounds which have a high affinity with a binding site of natural substrate of Rv2780 screened out from a small molecular compound database through a molecular docking program aiming at an active centre of the natural substrate of the Rv2780 by the way of virtual screening. Two bacteriostatic compounds (pyrazole compound 22# and nitrine thiophene compound 23#) are obtained. The name of the 22# compound is 3-formyloxy pyridine-2-carboxylate and the name of the 23# compound is 3-nitrine thiophene-2-carboxylate. The target gene evaluates the bacteriostatic effect of the two compounds on the mycobacterium tuberculousis.

Description

technical field [0001] The invention belongs to the technical field of drug molecules, and in particular relates to the application of a Mycobacterium tuberculosis gene Rv2780 in screening targets of anti-tuberculosis inhibitors. Background technique [0002] Mycobacterium tuberculosis is a pathogen that seriously endangers human health. According to the statistics of the World Health Organization, about three million people die of tuberculosis every year in the world, and about one-third of the world's population is infected with latent tuberculosis. Mycobacteria (WHO, 2009). Currently, TB chemotherapy consists of a mixture of first-line and second-line drugs. Actual TB treatment takes 6 to 9 months, leading to severe toxicity and drug resistance. Drug-resistant Mycobacterium tuberculosis strains have been emerging since the introduction of anti-tuberculosis drugs. In fact, mycobacteria are naturally resistant to most commonly used antibiotics due to their unusual cell w...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G06F19/16
Inventor 何正国曾菊梅崔涛
Owner HUAZHONG AGRI UNIV
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