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Application of mycobacterium tuberculosis Rv1354c gene as medicament target

A technology of Mycobacterium tuberculosis and a drug, applied in the field of microbial biology, can solve the problem of unreported regulation effect of Mycobacterium tuberculosis and the like

Inactive Publication Date: 2010-09-15
HUAZHONG AGRI UNIV
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

[0004] The regulatory role of Cyclic-di-GMP signaling pathway in Mycobacterium tuberculosis has not been reported yet

Method used

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  • Application of mycobacterium tuberculosis Rv1354c gene as medicament target
  • Application of mycobacterium tuberculosis Rv1354c gene as medicament target
  • Application of mycobacterium tuberculosis Rv1354c gene as medicament target

Examples

Experimental program
Comparison scheme
Effect test

Embodiment 1

[0194] Example 1 Original Sequence Acquisition and Domain Function Analysis

[0195] The protein sequence of Mycobacterium tuberculosis Rv1354c (gi: 15608494) was obtained from the NCBI database (http: / / www.ncbi.nlm.nih.gov / ), and its full length contains 623 amino acid residues. Submit the Mycobacterium tuberculosis Rv1354c protein sequence to the Conserved Domain Database CDD (http: / / www.ncbi.nlm.nih.gov / Structure / cdd / cdd.shtml) to query the domain information, Rv1354c from N-terminal to C-terminal Contains three structural domains of GAF, GGDEF and EAL in turn (see figure 1 ), indicating that Rv1354c is involved in the regulation of the second messenger Cyclic-di-GMP.

Embodiment 2

[0196] Embodiment 2: Construction of the computer drug screening system against Mycobacterium tuberculosis Rv1354c

[0197] Software platform configuration

[0198] In this example, the operating system used to construct the computer drug screening system against Mycobacterium tuberculosis Rv1354c is the Linux operating system, and the distribution version is Fedora Core 7-i386 version.

[0199] chimera software from the network ( http: / / www.cgl.ucsf.edu / chimera / ) free download, install directly after downloading.

[0200] dms source code package from the network ( http: / / www.cgl.ucsf.edu / Overview / softwarc.htm]#dms ) to download for free, compile the executable binary program on the local linux computer, and then install it.

[0201] 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.ucs...

Embodiment 3

[0256] Example 3 Application of computer drug screening against Mycobacterium tuberculosis Rv1354c

[0257] (1) Preparation of small molecule compound library

[0258] 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, 3D SDF, 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 database that is constantly updated, and the data used in this embodiment is ZINC7 ( http: / / blaster docking.org / zinc7 / ). The amount of data contained in the ZINC database is huge, but it provides a variety of ways to enable users to obtain corr...

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Abstract

The invention belongs to the field of microbial biotechnology, in particular to application of a mycobacterium tuberculosis Rv1354c gene (a gene sequence and encoded protein) as an anti-tuberculous medicament target. The application range thereof comprises: (1) simulating a three-dimensional structure of a mycobacterium tuberculosis Rv1354c guanylic acid cyclase structure domain; (2) establishing a computer medicament screening system specific to the mycobacterium tuberculosis Rv1354c; and (3) applying the computer medicament screening system in the step (2) to screen 16 compounds with high affinity with active sites from a ZINC database, and providing a basis for researching and developing new anti-tuberculous medicaments.

Description

technical field [0001] The invention belongs to the technical field of microbial biology, and in particular relates to the application of a mycobacterium tuberculosis Rv1354c gene (encoded protein) as an anti-tuberculosis drug target. Its application range includes: 1) simulating the three-dimensional structure of the guanylate cyclase domain of Mycobacterium tuberculosis Rv1354c; (2) establishing a computerized drug screening system for Mycobacterium tuberculosis Rv1354c; (3) using the method of step (2) The computer drug screening system screened out 16 compounds with high affinity to the active site from the ZINC database, providing a basis for the development of new anti-tuberculosis drugs. 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 popula...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): C12Q1/527C40B30/02C07D307/46C07C251/18C07C49/753C07C211/50C07F9/6561C07D487/04C07D207/38C07D209/48C07C229/18C07D233/64C07C251/08A61P31/06C12R1/32
Inventor 何正国崔涛张磊
Owner HUAZHONG AGRI UNIV
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