title: Garlic Phytocompounds Possess Anticancer Activity by Specifically Targeting Breast Cancer Biomarkers - an in Silico Study.
abstract: BACKGROUND
  Breast cancer (BC) is a serious lifestyle disease. There are several prognostic biomarkers like nuclear receptors whose over-expression is associated with BC characteristics. These biomarkers can be blocked by compounds with anti-cancer potential but selection must be made on the basis of no adverse side effects. This study is focused on finding of compounds from a plant source garlic.
  
  
  METHODS
  Twenty compounds from garlic and five targets considered involved in BC were retrieved from Pubchem database and Protein Data Bank respectively. They were docked using Accelrys Discovery Studio (DS) 4.0. The compounds which showed interaction were checked for drug likeliness.
  
  
  RESULTS
  Docking studies and ADMET evaluation revealed twelve compounds to be active against the targets. All the compounds displayed highly negative dock scores which indicated good interactions.
  
  
  CONCLUSIONS
  The results of this study should help researchers and scientists in the pharmaceutical field to identify drugs based on garlic.
authors.affiliation: Distributed Information Centre, Kerala Agricultural University, Kerala, India E-mail : nabarunroyagartala@gmail.com.
authors.forename: Nabarun
authors.initials: N
authors.lastname: Roy
authors.forename: Sangeetha
authors.initials: S
authors.lastname: Davis
authors.forename: Arunaksharan
authors.initials: A
authors.lastname: Narayanankutty
authors.forename: Pa
authors.initials: P
authors.lastname: Nazeem
authors.forename: Td
authors.initials: T
authors.lastname: Babu
authors.forename: Ps
authors.initials: P
authors.lastname: Abida
authors.forename: Pa
authors.initials: P
authors.lastname: Valsala
authors.forename: Achuthan C
authors.initials: AC
authors.lastname: Raghavamenon
mesh_terms: D000970:Antineoplastic Agents / Q000737:chemistry / Q000494:pharmacology*; D014408:Biomarkers, Tumor / Q000037:antagonists & inhibitors*; D001943:Breast Neoplasms / Q000188:drug therapy* / Q000378:metabolism; D003198:Computer Simulation; D062126:Databases, Chemical; D015195:Drug Design; D005260:Female; D005737:Garlic / Q000737:chemistry*; D015972:Gene Expression Regulation, Neoplastic / Q000187:drug effects; D006801:Humans; D008958:Models, Molecular; D062105:Molecular Docking Simulation; D058990:Molecular Targeted Therapy; D008517:Phytotherapy; D011487:Protein Conformation
chemical_list: D000970:Antineoplastic Agents; D014408:Biomarkers, Tumor