What does chemoinformatics include?

First-Line Drugs:

1. 
   Isoniazid (INH):
   
   • 
     Active Substance: Isoniazid
     
   • 
     Isoniazid is a prodrug that inhibits the synthesis of mycolic acids in the cell wall of Mycobacterium tuberculosis.
     
2. 
   Rifampin (RIF):
   
   • 
     Active Substance: Rifampin (also known as Rifampicin)
     
   • 
     Rifampin inhibits bacterial RNA polymerase, which is essential for transcription and RNA synthesis in Mycobacterium tuberculosis.
     
3. 
   Pyrazinamide (PZA):
   
   • 
     Active Substance: Pyrazinamide
     
   • 
     Pyrazinamide's exact mechanism of action is not well understood, but it is believed to disrupt fatty acid synthesis in the TB bacteria.
     
4. 
   Ethambutol (EMB):
   
   • 
     Active Substance: Ethambutol
     
   • 
     Ethambutol inhibits arabinosyl transferase, which is involved in the synthesis of arabinogalactan, an essential component of the mycobacterial cell wall.
     

Second-Line Drugs (for Drug-Resistant TB):

1. 
   Fluoroquinolones (e.g., Levofloxacin, Moxifloxacin):
   
   • 
     Active Substances: Various fluoroquinolones
     
   • 
     Fluoroquinolones inhibit DNA gyrase and topoisomerase IV, enzymes essential for DNA replication and repair.
     
2. 
   Injectable Antibiotics (e.g., Amikacin, Kanamycin, Capreomycin):
   
   • 
     Active Substances: Various aminoglycosides
     
   • 
     These drugs disrupt protein synthesis by binding to the bacterial ribosome.
     
3. 
   Cycloserine:
   
   • 
     Active Substance: Cycloserine
     
   • 
     Cycloserine inhibits cell wall synthesis by interfering with the formation of peptidoglycan.
     
4. 
   Linezolid:
   
   • 
     Active Substance: Linezolid
     
   • 
     Linezolid inhibits protein synthesis by binding to the 50S ribosomal subunit.
     
5. 
   Bedaquiline:
   
   • 
     Active Substance: Bedaquiline
     
   • 
     Bedaquiline disrupts the flow of protons in the bacterial cell membrane, affecting energy production.
     
6. 
   Delamanid:
   
   • 
     Active Substance: Delamanid
     
   • 
     Delamanid inhibits mycolic acid synthesis, a crucial component of the bacterial cell wall.
     

To access the chemical structures of these active substances, you can follow these steps:

1. 
   Visit a chemical database such as PubChem or ChemSpider.
   
2. 
   Use the search bar on the database's website to look up the active substance name (e.g., "Isoniazid," "Rifampin," etc.).
   
3. 
   Once you find the substance, you can typically view its chemical structure along with other relevant information.
   

Please note that the structures may be represented in 2D or 3D formats, and you can explore additional details about the compounds, including their chemical properties and related references, on these databases.

show tuberculosis-causing proteins with their codes

ChatGPT
Tuberculosis (TB) is primarily caused by the bacterium Mycobacterium tuberculosis. While TB is not caused by specific proteins, the pathogenesis of TB involves various proteins and molecules produced by M. tuberculosis that contribute to the infection and disease progression. These proteins play essential roles in the bacteria's survival, virulence, and interactions with the host immune system.
Here are some key proteins and their corresponding gene or protein codes associated with Mycobacterium tuberculosis:

1.