Accession Number: pdtdbd00004

Details of the Target and Disease

Target Name : Human Estrogen Receptor Alpha
Target Keywords : Human estrogen receptor alpha, Estrogen, Breast cancer
Target Description :
Estrogen receptor alpha (ERα), also known as NR3A1 (nuclear receptor subfamily 3, group A, member 1), is one of two main types of estrogen receptor, a nuclear receptor that is activated by the sex hormone estrogen. In humans, ERα is encoded by the gene ESR1 (EStrogen Receptor 1). The estrogen receptor (ER) is a ligand-activated transcription factor composed of several domains important for hormone binding, DNA binding, and activation of transcription. Alternative splicing results in several ESR1 mRNA transcripts, which differ primarily in their 5-prime untranslated regions. The translated receptors show less variability.

Target Sequence :
>2IOK:A/B|PDBID|CHAIN|SEQUENCE SKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTS

Disease Name : Breast Cancer
Disease Description :
Cancer starts when cells begin to grow out of control. Cells in nearly any part of the body can become cancer, and can spread to other areas of the body. Breast cancer usually starts off in the inner lining of milk ducts or the lobules that supply them with milk. A malignant tumor can spread to other parts of the body. A breast cancer that started off in the lobules is known as lobular carcinoma, while one that developed from the ducts is called ductal carcinoma. The vast majority of breast cancer cases occur in females.
Disease Symptoms :

The first symptoms of breast cancer are usually an area of thickened tissue in the woman's breast, or a lump. The majority of lumps are not cancerous; however, women should get them checked by a health care professional.

Signs of breast cancer may include a lump in the breast, a change in breast shape, dimpling of the skin, fluid coming from the nipple, or a red scaly patch of skin. In those with distant spread of the disease, there may be bone pain, swollen lymph nodes, shortness of breath, or yellow skin. Risk factors for developing breast cancer include: female sex, obesity, lack of physical exercise, drinking alcohol, hormone replacement therapy during menopause, ionizing radiation, early age at first menstruation, having children late or not at all, older age, and family history.

Target Related Dockings :
Human Estrogen Receptor Alpha

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Breast Cancer

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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 : -74.33 kcal/mol
Number of Interactions : 1
Herbal Recipe :
Cut 10 leaves of papaya into small pieces and boil them in a 1/2 gallon water until it boils down to the quarter and let it cool. Drink as much as possible.
Drug Action :
Papaya Leaves have a milky sap that’s great for preventing and killing cancer cells because it contains acetogenin.
Author(s) : Members of PDTDB team.
Submitted Date : 11-Feb-2016
Docking Keywords : Human estrogen receptor alpha, Estrogen, Breast cancer, Papaya
pdtdbd00004

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List of Information Sources

  1. http://dx.doi.org/10.2210/pdb2iok/pdb
  2. https://en.wikipedia.org/wiki/Estrogen_receptor_alpha
  3. http://www.ncbi.nlm.nih.gov/pubmed/14973389
  4. http://mappingignorance.org/2012/12/18/targeting-breast-cancer-in-a-surprising-way/
  5. https://en.wikipedia.org/wiki/Breast_cancer
  6. http://www.medicalnewstoday.com/articles/37136.php
  7. https://pubchem.ncbi.nlm.nih.gov/compound/86821
  8. http://en.wikipedia.org/wiki/Papaya
  9. http://www.webmd.com/vitamins-supplements/ingredientmono-488-papaya.aspx?activeingredientid=488&activeingredientname=papaya
  10. http://www.iloveindia.com/indian-herbs/carica-papaya.html
  11. http://www.scirp.org/journal/PaperDownload.aspx?DOI=10.4236/fns.2014.521222
  12. http://community.omtimes.com/profiles/blogs/15-uses-for-papaya-leaves-a-powerful-cure-for-cancer