Accession Number: pdtdbd00011

Details of the Target and Disease

Target Name : PDZ domain-containing protein GIPC2
Target Keywords : PDZ domain, GIPC2, PDZ domain protein GIPC2, Staphylococcus aureus
Target Description :
GIPC PDZ domain containing family, member 2 (GIPC2) is a protein that, in humans, is encoded by the GIPC2 gene. An important paralog of this gene is GIPC3.

Target Sequence :

Disease Name : Staphylococcus aureus
Disease Description :
Staphylococcus aureus is a gram-positive coccal bacterium that is a member of the Firmicutes, and is frequently found in the nose, respiratory tract, and on the skin. It is often positive for catalase and nitrate reduction. Although S. aureus is not always pathogenic, it is a common cause of skin infections such as abscesses, respiratory infections such as sinusitis, and food poisoning. Pathogenic strains often promote infections by producing potent protein toxins, and expressing cell-surface proteins that bind and inactivate antibodies. The emergence of antibiotic-resistant strains of S. aureus such as MRSA is a worldwide problem in clinical medicine.
Disease Symptoms :
Staphylococcus aureus can cause a range of illnesses, from minor skin infections, such as pimples, impetigo, boils, cellulitis, folliculitis, carbuncles, scalded skin syndrome, and abscesses, to life-threatening diseases such as pneumonia, meningitis, osteomyelitis, endocarditis, toxic shock syndrome, bacteremia, and sepsis. It is still one of the five most common causes of hospital-acquired infections and is often the cause of postsurgical wound infections.
Target Related Dockings :
PDZ domain-containing protein GIPC2

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Staphylococcus aureus

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Details of the Plant and Ligand

Ligand Name : Piperonal
Systematic Names : Piperonal; Piperonyl aldehyde; Heliotropine; Heliotropin; 1,3-Benzodioxole-5-carboxaldehyde
Molecular Formula : C8H6O3
Molecular Weight : g/mol
IUPAC Name : 1,3-benzodioxole-5-carbaldehyde
Canonical SMILES : C1OC2=C(O1)C=C(C=C2)C=O
Ligand Description :
Piperonal is an organic compound which is commonly found in fragrances and flavors. The molecule is structurally related to other aromatic aldehydes such as benzaldehyde and vanillin. Piperonal naturally occurs in various plants. Examples include dill, vanilla, violet flowers, and black pepper.
Other Related Plants :
Ligand Related Dockings :

Plant Name : Black Pepper
Alternative Names : Blanc Poivre, Pepper, Piperine, குறுமிளகு, நல்லமிளகு
Scientific Name : Piper nigrum
Medicinal Parts : Seed
Plant Category : Herb, Spice
2° Metabolites (28/102) :
Acetylcholine, (-)-α-Copaene, α-Cubebene, α-Curcumene, α-Ocimene, 1-α-Phellandrene(R), α-Pinene, α-Santalal, α-Santalene, α-Selinene, α-Terpinene, α-Terpineol, α-Thujene, Astragalin, β-Bisabolene, β-Cubebene, β-Farnesene, β-Phellandrene (R), β-Pinene, β-Selinene, β-Sitosterol, Caffeic acid, (-)-Calamenene, 3-Carene, Caryophyllene α-oxide, Choline, cis-α-Bergamotene, cis-Carveol(4R,6R), Citronellol, (R)-form, Coumurrayin, Cryptone (R)-form, Cubebin, 1-(2,4-Decadienoyl)pyrrolidine (2E,4E-form), δ-Cadinene, δ-Elemene, Dihydrocarveol, Dihydropipercide, 3,4-Dihydroxy-6-(N-ethylamino)benzamide, 3',4'-Dimethoxy-3',4'-demethylenedioxycubebin, 3,4-Dimethoxy-3,4-demethylenedioxycubebin, Dipentene, 1-(2,4-Dodecadienoyl)pyrrolidine (2E,4E-form), Epoxydihydrocaryophyllene(8R,9R), Eugenol, Feruperine, γ-Terpinene, Guineensine (E,E,E-form), Hentriacontan-16-ol, Hentriacontan-16-one, 3-Hydroxy-2,9-dimethoxypterocarpan, (+)-2-Hydroxypisatin, 4-Hydroxy-2,3,9-trimethoxypterocarpan, Hyperoside, Isocaryophyllene, Isochavicine, Isoquercitrin, Isorhamnetin-3-rutinoside, Kaempferol, Kaempferol-3-O-α-L-arabinopyranosyl-7-O-α-L-rhamnopyranoside, Linalool, Methyleugenol, Myristicin, Nerolidol, N-5-(4-Hydroxy-3-methoxyphenyl)-2E-pentenoylpiperidine, N-5(4-Hydroxy-3-methoxyphenyl)pent-trans-2-dienoylpiperidine, N-Isobutyl-2,4-eicosadienamide (2E,4E-form), N-Isobutyl-2,4,8-eicosatrienamide (2E,4E,8Z-form), N-Isobutyl-13-(3,4-methylenedioxyphenyl)trideca-2,4,8-trienamide (E,E,E-form), N-Isobutyl-2,4-octadecadienamide (2E,4E-form), N-trans-Feruloylpiperidine, 8-p-Cymenol, Pellitorine (E,E-form), Phenylacetic acid, Piperamide-C9:3 (2E,4E,8E-form), Piperamide-C7:2 (2E,6E-form), Piperamide-C9:2 (2E,8E-form), Piperamide-C9:1 (8E-form), Piperamide-C7:1 (6E-form), Piperamide-C5:1 (2E-form), Piperanine (E-form), Pipercide, Piperettine, Piperidine, Piperine, Piperolein B, Piperoleine B, Piperonal, (+)-Pisatin, Pyrrolidine, Pyrroperine, Quercetin, Quercitrin, Retrofractamide A, Rhamnetin-O-triglucoside, Sandaracopimarinol, (S)-(+)-Carvone, Sesquisabinene, Sophorol, Terpinen-4-ol, trans-α-Bergamotene, 2,3,9-Trimethoxypterocarpan
Phytochemical IDs : pdtdbl00132, pdtdbl00179, pdtdbl00050, pdtdbl00213, pdtdbl00121, pdtdbl00133, pdtdbl00175, pdtdbl00106, pdtdbl00049, pdtdbl00027, pdtdbl00070, pdtdbl00182, pdtdbl00042, pdtdbl00135, pdtdbl00222, pdtdbl00186, pdtdbl00209, pdtdbl00054, pdtdbl00142, pdtdbl00122, pdtdbl00155, pdtdbl00063, pdtdbl00126, pdtdbl00227, pdtdbl00204, pdtdbl00228, pdtdbl00038, pdtdbl00156
Plant Keywords : Black pepper, Piper nigrum, Blanc Poivre, Pepper, Piperine, குறுமிளகு, நல்லமிளகு
Plant Description :
  1. People take black pepper for stomach upset, bronchitis, and cancer. They take white pepper for stomach upset, malaria, cholera, and cancer.
  2. Black pepper is sometimes applied directly to the skin for treating nerve pain (neuralgia) and a skin disease called scabies. Black pepper and white pepper are also used topically as a counterirritant for pain.
  3. In foods and beverages, black pepper, white pepper, and pepper oil (a product distilled from black pepper) are used as flavoring agents.
  4. Black pepper was believed to cure illness such as constipation, diarrhoea, earache, gangrene, heart disease, hernia, hoarseness, indigestion, insect bites, insomnia, joint pain, liver problems, lung disease, oral abscesses, sunburn, tooth decay, and toothaches.

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Black Pepper

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Details of Docking Evaluation

Docking Score : -33.61 kcal/mol
Number of Interactions : 2
Herbal Recipe :
Staph infection is also known as Staphylococcus Aureus. An individual can create a tonic by boiling turmeric powder (4 teaspoons), black pepper powder (1 teaspoon), coconut oil (1 teaspoon) and lemon juice (1 teaspoon) in water and consume this tonic several times in a day to cure staph infection. Turmeric powder can also be applied on the affected area to reduce the staph infection.
Drug Action :
Aqueous decoction of black pepper and turmeric has maximum inhibition effect against the bacteria Staphylococcus aureus.
Author(s) : Members of PDTDB team.
Submitted Date : 6-Mar-2016
Docking Keywords : PDZ domain, GIPC2, PDZ domain protein GIPC2, Staphylococcus aureus, Piper nigrum, Piperonal

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List of Information Sources