Accession Number: pdtdbd00009

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

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Details of the Plant and Ligand

Ligand Name : Alliin
Systematic Names : Alliin; 3-(allylsulfinyl)-l-alanin; 3-(Allylsulphinyl)-L-alanine
Molecular Formula : C6H11NO3S
Molecular Weight : g/mol
IUPAC Name : (2R)-2-amino-3-prop-2-enylsulfinylpropanoic acid
Canonical SMILES : C=CCS(=O)CC(C(=O)O)N
Ligand Description :

Alliin is a sulfoxide that is a natural constituent of fresh garlic. It is a derivative of the amino acid cysteine. When fresh garlic is chopped or crushed, the enzyme alliinase converts alliin into allicin, which is responsible for the aroma of fresh garlic. Garlic has been used since antiquity as a therapeutic remedy for certain conditions now associated with oxygen toxicity, and, when this was investigated, garlic did indeed show strong antioxidant and hydroxyl radical-scavenging properties, it is presumed owing to the alliin contained within.

Alliin has been found to affect immune responses in blood.

Alliin was the first natural product found to have both carbon- and sulfur-centered stereochemistry.

Other Related Plants :
Ligand Related Dockings :

Plant Name : Garlic
Alternative Names : Aged Garlic Extract, Ail, Ajo, Allii Sativi Bulbus, Allium, Allium sativum, Camphor of the Poor, Clove Garlic, Da Suan, Garlic Clove, Lasun, Lasuna, Nectar of the Gods, Poor Man's Treacle, Rason, Rust Treacle, Stinking Rose, பூண்டு, வெள்ளைப் பூண்டு
Scientific Name : Allium sativum
Medicinal Parts : Bulb Cloves
Plant Category : Vegetable
2° Metabolites (11/24) :
Ajoene, Allicin, Alliin, Allyl polysulfides, Calcium, Carbohydrates, Diallyl Sulphate, Fat, Iron, Magnesium, Manganese, Phosphorus, Potassium, Selenium, Sodium, Vinyldithiins, Vitamin B1, Vitamin B2, Vitamin B3, Vitamin B5, Vitamin B6, Vitamin B9, Vitamin C, Zinc
Phytochemical IDs : pdtdbl00080, pdtdbl00060, pdtdbl00079, pdtdbl00077, pdtdbl00008, pdtdbl00009, pdtdbl00010, pdtdbl00011, pdtdbl00012, pdtdbl00013, pdtdbl00016
Plant Keywords : Garlic, Allium sativum, Aged Garlic Extract, Ail, Ajo, Allii Sativi Bulbus, Allium, Allium sativum, Camphor of the Poor, Clove Garlic, Da Suan, Garlic Clove, Lasun, Lasuna, Nectar of the Gods, Poor Man's Treacle, Rason, Rust Treacle, Stinking Rose, பூண்டு, வெள்ளைப் பூண்டு
Plant Description :
Garlic is used for Hardening of the arteries (atherosclerosis), Colon cancer, Rectal cancer, Stomach cancer, High blood pressure, Tick bites, Ringworm, Jock itch, Athlete’s foot, Hair loss (alopecia areata), Chest pain (angina), Benign prostatic hyperplasia (BPH), Common cold, Clogged arteries (coronary heart disease), Corns, Cancer in the esophagus, Muscle soreness after exercise, Lumpy breast tissue (fibrocystic breast disease), Stomach inflammation (gastritis), Hepatitis, Shortness of breath and low oxygen levels associated with liver disease (hepatopulmonary syndrome), Thrush (oral candidiasis), Hardening and tightening of the skin and connective tissue (scleroderma), and Warts.

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Details of Docking Evaluation

Docking Score : -31.97 kcal/mol
Number of Interactions : 5
Herbal Recipe :

Garlic has anti bacterial property as it contains sulphur. This helps in destroying the bacteria causing TB. Garlic also contains allicin and ajoene which helps to inhibit the bacterial growth. Garlic improves the immunity of the body. Cooked or raw garlic can be used as a remedy.

Boil four cups water and one cup of milk together add half teaspoon of chopped garlic and reduce it to one –fourth (¼). Drink this mixture three times daily.

Drink a glass of milk to which 10 drops of garlic juice is added before going to bed. To get better result, do not drink water immediately after consuming the remedy

Drug Action :
Garlic exhibits a wide spectrum of antibacterial activity against acid-fast bacteria such as Mycobacterium tuberculosis. A synergistic effect of allicin against Mycobacterium tuberculosis was also found with antibiotics such as streptomycin orchloramphenicol. A very interesting aspect of the antibacterial activity of allicin is the apparent inability of most bacteria to develop resistance to it because the mode of action is completely different from that of other antibiotic substances. It has been proposed that the development of resistance to β-lactam antibiotics is 1000-fold easier than development of resistance to allicin.
Author(s) : Members of PDTDB team.
Submitted Date : 18-Feb-2016
Docking Keywords : Cell Division Protein, FtsZ, Mycobacterium Tuberculosis, Garlic, Alliin

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