Accession Number: pdtdbd00001

Details of the Target and Disease

Target Name : Dengue 2 Virus Envelope Protein
Target Keywords : Dengue 2 Virus Envelope Protein, DENV-2, Dengue fever
Target Description :
Dengue virus is a positive–stranded RNA virus. The 11 kb RNA genome encodes for a single polyprotein. This polyprotein is then cleaved in the cytoplasm into three structural and seven non-structural proteins. The structural proteins includes Capsid (C) protein, Membrane (M) protein and Envelope (E) protein. These protein plays an important role in the viral particle formations. The non-structural proteins (NS1, NS2a, NS2b, NS3, NS4a, NS4b, and NS5) are involved in the replication, assembly and immune response escape.

Target Sequence :
>1OKE:A/B|PDBID|CHAIN|SEQUENCE MRCIGISNRDFVEGVSGGSWVDIVLEHGSCVTTMAKNKPTLDFELIKTEAKQPATLRKYCIEAKLTNTTTESRCPTQGEPTLNEEQDKRFVCKHSMVDRGWGNGCGLFGKGGIVTCAMFTCKKNMEGKIVQPENLEYTVVITPHSGEEHAVGNDTGKHGKEVKITPQSSITEAELTGYGTVTMECSPRTGLDFNEMVLLQMKDKAWLVHRQWFLDLPLPWLPGADTQGSNWIQKETLVTFKNPHAKKQDVVVLGSQEGAMHTALTGATEIQMSSGNLLFTGHLKCRLRMDKLQLKGMSYSMCTGKFKVVKEIAETQHGTIVIRVQYEGDGSPCKIPFEIMDLEKRHVLGRLITVNPIVTEKDSPVNIEAEPPFGDSYIIIGVEPGQLKLNWFKK

Disease Name : Dengue fever
Disease Description :
Dengue fever is transmitted by the bite of an Aedes aegypti mosquito infected with a dengue virus. The mosquito becomes infected when it bites a person with dengue virus in their blood. It can’t be spread directly from one person to another person.
Disease Symptoms :

Symptoms, which usually begin four to six days after infection and last for up to 10 days, may include

  • Sudden, high fever
  • Severe headaches
  • Pain behind the eyes
  • Severe joint and muscle pain
  • Fatigue
  • Nausea
  • Vomiting
  • Skin rash, which appears two to five days after the onset of fever
  • Mild bleeding (such a nose bleed, bleeding gums, or easy bruising)
Target Related Dockings :
NA
Dengue 2 Virus Envelope Protein

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Dengue fever

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Details of the Plant and Ligand

Ligand Name : Stigmast-5-en-3-ol
Systematic Names : Stigmast-5-en-3-ol; Azuprostat; Nimbosterol; .alpha.-Phytosterol; Angelicin (steroid); Sitosterol, .beta.
Molecular Formula : C29H50O
Molecular Weight : g/mol
IUPAC Name : 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES : CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
Ligand Description :
Stigmast-5-en-3-ol is the constituent of Carica papaya leaves.
Other Related Plants :
NA
Ligand Related Dockings :

Plant Name : Papaya
Alternative Names : Paw Paw, Papaw, Tree Melon, Kates, பப்பாளி பழம்
Scientific Name : Carica papaya
Medicinal Parts : Fruit, Seeds, Root, Juice, Latex
Plant Category : Fruit
2° Metabolites (23/45) :
Arachidic acid, Calcium, Caoutchouc-like substances, Carbohydrates, Caricin, β-Carotene 5,6-Epoxide, ζ-Carotene, Carpaine, Carposide, β-Cryptoxanthin, Fat, Fiber, Glycoside, Iron, Linoleic acid, Lutein, Lycopene, Magnesium, Malic acid, Manganese, Myrosin, Oleic acid, Palmitic acid, Papain, Phosphorus, Potassium, Protein, Resin, Sodium, Stearic acid, Stigmast-5-en-3-ol, Vitamin A, Vitamin B1, Vitamin B2, Vitamin B3, Vitamin B5, Vitamin B6, Vitamin B9, Vitamin C, Vitamin E, Vitamin K, Volatile oil, Water, Zeaxanthin, Zinc
Phytochemical IDs : pdtdbl00021, pdtdbl00007, pdtdbl00004, pdtdbl00020, pdtdbl00034, pdtdbl00005, pdtdbl00006, pdtdbl00019, pdtdbl00033, pdtdbl00022, pdtdbl00023, pdtdbl00217, pdtdbl00015, pdtdbl00008, pdtdbl00009, pdtdbl00010, pdtdbl00011, pdtdbl00012, pdtdbl00013, pdtdbl00016, pdtdbl00017, pdtdbl00018, pdtdbl00003
Plant Keywords : Papaya, Carica papaya, Paw Paw, Papaw, Tree Melon, Kates, பப்பாளி பழம்
Plant Description :

Papaya leaves are made into tea as a treatment for malaria. Antimalarial and antiplasmodial activity has been noted in some preparations of the plant, but the mechanism is not understood and no treatment method based on these results has been scientifically proven. In the belief that it can raise platelet levels in blood, papaya may be used as a medicine for dengue fever.

Papaya is marketed in tablet form to remedy digestive problems. Papain ointment is commonly made from fermented papaya flesh, and is applied as a gel-like paste. Harrison Ford was treated for a ruptured disc incurred during filming of Indiana Jones and the Temple of Doom by papain injections.

Papaya is used for preventing and treating gastrointestinal tract disorders, intestinal parasite infections, and as a sedative and diuretic. It is also used for nerve pains (neuralgia) and elephantoid growths. Elephantoid growths are large swollen areas of the body that are symptoms of a rare disorder of the lymphatic system caused by parasitic worms.

Papaya has been used for treating digestive problems and intestinal worms. The softening qualities of papain have been taken advantage of, in the treatment of warts, corns, sinuses, and chronic forms of scaly eczema, cutaneous tubercles, and other hardness of the skin, produced by irritation. Papain also is used to treat arthritis. Papaya contains a chemical called papain, which is commonly used as a meat tenderizer.

The sinapism prepared from the root of the plant are believed to be beneficial in treating the tumors of uterus. In the Asian countries, the latex of the plant is smeared at the mouth of the uterus, while the root infusion is used for syphilis in Africa. The latex is also used in curing psoriasis and ringworm in Cuba. It is also used as a local antiseptic in many parts of the world. The leaves of papaya tree are used for treating nervous pains and elephantoid growths. The infusion of its roots is said to reduce urine concretions. Papaya latex, also used as dyspepsia cure, is applied to burns and scalds externally.

Dietary papaya reduces urine acidity in humans. The flowers from the plant are used in treating jaundice.

Stigmast-5-en-3-ol

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Papaya

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Details of Docking Evaluation

Docking Score : -44.49 kcal/mol
Number of Interactions : 2
Herbal Recipe :
Take leaves of a papaya tree. Wash properly, grind, and squeeze the juice into a bowl or a glass. Drink a glass or two every day for at least 4 days (minimum) apart from other fruit juices. Remember, it’s not the fruit, but the leaves of papaya.
Drug Action :
Stigmast-5-en-3-ol exhibits potential activity against dengue fever by increasing the platelet count.
Author(s) : Members of PDTDB team.
Submitted Date : 06-Feb-2016
Docking Keywords : Dengue 2 Virus Envelope Protein, DENV-2, Dengue fever, Carica papaya
pdtdbd00001

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List of Information Sources

  1. http://dx.doi.org/10.2210/pdb1oke/pdb
  2. http://scholarsresearchlibrary.com/JCMMD-vol5-iss2/JCMMD-2015-5-2-1-7.pdf
  3. http://www.webmd.com/a-to-z-guides/dengue-fever-reference
  4. https://pubchem.ncbi.nlm.nih.gov/compound/86821
  5. http://en.wikipedia.org/wiki/Papaya
  6. http://www.webmd.com/vitamins-supplements/ingredientmono-488-papaya.aspx?activeingredientid=488&activeingredientname=papaya
  7. http://www.iloveindia.com/indian-herbs/carica-papaya.html
  8. http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3614241/pdf/apjtb-01-04-330.pdf
  9. http://www.thehealthsite.com/diseases-conditions/can-papaya-leaves-help-cure-dengue/
  10. http://www.naturalhealthstrategies.com/papaya-leaf-juice-used-for-dengue.html