Accession Number: pdtdbd00008

Details of the Target and Disease

Target Name : Cell Division Protein FtsZ from Mycobacterium Tuberculosis
Target Keywords : Cell Division Protein, FtsZ, Mycobacterium Tuberculosis, Tuberculosis, TB
Target Description :

FtsZ is a protein encoded by the ftsZ gene that assembles into a ring at the future site of the septum of bacterial cell division. This is a prokaryotic homologue to the eukaryotic protein tubulin. FtsZ has been named after "Filamenting temperature-sensitive mutant Z". The hypothesis was that cell division mutants of E. coli would grow as filaments due to the inability of the daughter cells to separate from one another.

Mycobacterium tuberculosis FtsZ requires at least one arginine residue at the C-terminal end for polymerization in vitro. Inhibitors of FtsZ de-polymerization have antibacterial activity.

Target Sequence :

Disease Name : Tuberculosis
Disease Description :

Tuberculosis (MTB, TB) is an infectious disease caused by the bacteria Mycobacterium tuberculosis. Tuberculosis generally affects the lungs, but can also affect other parts of the body. Most infections do not have symptoms, known as latent tuberculosis. About 10% of latent infections eventually progresses to active disease which, if left untreated, kills about half of those infected. The classic symptoms of active TB are a chronic cough with blood-tinged sputum, fever, night sweats, and weight loss. This weight loss was what gave rise to the old term "consumption" for the disease. Infection of other organs can cause a wide range of symptoms.

Tuberculosis is spread through the air when people who have active TB in their lungs cough, spit, speak, or sneeze. People with latent TB do not spread the disease. Active infection occurs more often in people with HIV/AIDS and in those who smoke. Diagnosis of active TB is based on chest X-rays, as well as microscopic examination and culture of body fluids. Diagnosis of latent TB relies on the tuberculin skin test (TST) or blood tests.

Disease Symptoms :

Tuberculosis may infect any part of the body, but most commonly occurs in the lungs (known as pulmonary tuberculosis). Extra-pulmonary TB occurs when tuberculosis develops outside of the lungs, although extra pulmonary TB may coexist with pulmonary TB.

General signs and symptoms include fever, chills, night sweats, loss of appetite, weight loss, and fatigue. Significant nail clubbing may also occur.

Target Related Dockings :
Cell Division Protein FtsZ from Mycobacterium Tuberculosis

Click the image to enlarge


Click the image to enlarge

Details of the Plant and Ligand

Ligand Name : Rifampicin
Systematic Names : Rifampicin; Rifadin; Rifampin; Rimactane; Rimactan; Tubocin
Molecular Formula : C43H58N4O12
Molecular Weight : g/mol
IUPAC Name : 5,6,9,17,19,21-Hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-2,7-(epoxypentadeca[1,11,13]trienimino)-naphtho[2,1-b]furan-1,11(2H)-dione 21-acetate
Canonical SMILES : CC1C=CC=C(C(=O)NC2=C(C3=C(C(=C4C(=C3C(=O)C2=CNN5CCN(CC5)C)C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C
Ligand Description :

Rifampicin, also known as rifampin, is an antibiotic used to treat a number of bacterial infections. This includes tuberculosis, leprosy, and legionella, among others. Often it is used along with other antibiotics. Rifampicin is active against a variety of organisms including Staphylococcus aureus, Staphylococcus epidermidis, Mycobacterium tuberculosis, Mycobacterium leprae, Neisseria meningiditis and Brucella species.

Common side effects include nausea, vomiting, diarrhea, and loss of appetite. It may also turn urine, sweat, and tears a red color. Liver problems or allergic reactions may occur. It is part of the recommended treatment of active tuberculosis during pregnancy even though safety is not clear in pregnancy. Rifampicin is of the rifamycin group of antibiotics. It works by stopping the making of RNA by the bacteria

Other Related Plants :
Ligand Related Dockings :

Plant Name : Horseradish tree
Alternative Names : Drumstick, Clarifier Tree, முருங்கை
Scientific Name : Moringa oleifera
Medicinal Parts : Leaf, Bark, Flower, Fruit, Seed, Root, Gum
Plant Category : Vegetable, Herb
2° Metabolites (11/48) :
0-[2’-hydroxy-3’-(2’’-heptenyloxy)]-propylundecanoate, 0-ethyl-4-[(α-1-rhamnosyloxy)-benzyl] carbamate, 4-(α-L-rhamnopyranosyloxy)-benzylglucosinolate, 4-Hydroxymellein, 4-[4’-O-acetyl-α-L-rhamnosyloxy) benzyl] isothiocyanate, L-Arabinose, Benzylglucosinolate, Calcium, Carbohydrates, β-Carotene, D-Galactose, D-Ginose, D-Glucuronic acid, Isothiocyanate, L-Rhamnose, Leucoanthocyanin, Magnesium, Manganese, D-Mannose, Methyl-p-hydroxybenzoate, mono-Palmitic acid, di-Oleic triglyceride, Moringyne, Niaziminin A, Niaziminin B, Niazirin, Niazirinin, Nitriles, Octacosanic acid, Phosphorus, Polysaccharide, Potassium, Rifampicin, β-Sitosterol, β-Sitosterone, Sodium, Thiocarbanates, Vanillin, Vitamin A, Vitamin B1, Vitamin B2, Vitamin B3, Vitamin B5, Vitamin B6, Vitamin C, Water, D-Xylose, Zinc
Phytochemical IDs : pdtdbl00035, pdtdbl00226, pdtdbl00027, pdtdbl00072, pdtdbl00015, pdtdbl00008, pdtdbl00009, pdtdbl00010, pdtdbl00011, pdtdbl00012, pdtdbl00016
Plant Keywords : Horseradish tree, Moringa oleifera, Drumstick, Clarifier Tree, முருங்கை
Plant Description :
  1. Moringa is used for “tired blood” (anemia); arthritis and other joint pain (rheumatism); asthma; cancer; constipation; diabetes; diarrhea; epilepsy; stomach pain; stomach and intestinal ulcers; intestinal spasms; headache; heart problems; high blood pressure; kidney stones; fluid retention; thyroid disorders; and bacterial, fungal, viral, and parasitic infections.
  2. Moringa is also used to reduce swelling, increase sex drive (as an aphrodisiac), prevent pregnancy, boost the immune system, and increase breast milk production. Some people use it as a nutritional supplement or tonic.
  3. Moringa is sometimes applied directly to the skin as a germ-killer or drying agent (astringent). It is also used topically for treating pockets of infection (abscesses), athlete’s foot, dandruff, gum disease (gingivitis), snakebites, warts, and wounds.
  4. Oil from moringa seeds is used in foods, perfume, and hair care products, and as a machine lubricant.
  5. Moringa is an important food source in some parts of the world. Because it can be grown cheaply and easily, and the leaves retain lots of vitamins and minerals when dried, moringa is used in India and Africa in feeding programs to fight malnutrition. The immature green pods (drumsticks) are prepared similarly to green beans, while the seeds are removed from more mature pods and cooked like peas or roasted like nuts. The leaves are cooked and used like spinach, and they are also dried and powdered for use as a condiment.
  6. The seed cake remaining after oil extraction is used as a fertilizer and also to purify well water and to remove salt from seawater.

Click the image to enlarge

Horseradish tree

Click the image to enlarge

Details of Docking Evaluation

Docking Score : -44.56 kcal/mol
Number of Interactions : 6
Herbal Recipe :

Drumstick leaves have antibacterial and anti- inflammatory properties. This will help to eliminate the bacteria from the lungs. This remedy also helps to reduce the inflammation of the lungs caused by infection and coughing. Drumstick leaves are a good source of iron, calcium, carotene which improves the immunity of the body.

Boil a handful of drumstick leaves with one cup water for five minutes. Allow this to cool and add salt, pepper and one teaspoon lime juice. Drink this on an empty stomach daily morning to cure tuberculosis. You can also consume boiled drumsticks daily to clear the infection.

Drug Action :
Rifampicin acts by binding to, and inhibiting, DNA-dependent RNA polymerase in prokaryotic but not eukaryotic cells. It is one of the most active anti-tuberculosis agents; it enters the phagocytic cells and can kill intracellular microorganisms including the tubercle bacillus. Resistance can develop rapidly in a one-step process and is thought to be caused by chemical modification of microbial DNA-dependent RNA polymerase, resulting from a chromosomal mutation.
Author(s) : Members of PDTDB team.
Submitted Date : 17-Feb-2016
Docking Keywords : Cell Division Protein, FtsZ, Mycobacterium Tuberculosis, Moringa oleifera

Click the image to enlarge

List of Information Sources