title: Isolation of anticancer drug TAXOL from Pestalotiopsis breviseta with apoptosis and B-Cell lymphoma protein docking studies.
abstract: BACKGROUND
  Extraction and investigation of TAXOL from Pestalotiopsis breviseta (Sacc.) using protein docking, which is a computational technique that samples conformations of small molecules in protein-binding sites. Scoring functions are used to assess which of these conformations best complements the protein binding site and active site prediction.
  
  
  METHODS
  Coelomycetous fungi P. breviseta (Sacc.) Steyaert was screened for the production of TAXOL, an anticancer drug.
  
  
  RESULTS
  TAXOL PRODUCTION WAS CONFIRMED BY THE FOLLOWING METHODS: Ultraviolet (UV) spectroscopic analysis, Infrared analysis, High performance liquid chromatography analysis (HPLC), and Liquid chromatography mass spectrum (LC-MASS). TAXOL produced by the fungi was compared with authentic TAXOL, and protein docking studies were performed.
  
  
  CONCLUSIONS
  The BCL2 protein of human origin showed a higher affinity toward the compound paclitaxel. It has the binding energy value of -13.0061 (KJ/Mol) with four hydrogen bonds.
authors.affiliation: Department of Biotechnology, Vels University, Pallavaram, Chennai, Tamil Nadu, India.
authors.forename: G
authors.initials: G
authors.lastname: Kathiravan
authors.affiliation: Department of Medicine, Digestive Diseases and Nutrition Section, The University of Oklahoma Health Sciences Center, Oklahoma City, Oklahoma 73104, USA.
authors.forename: Sripathi M
authors.initials: SM
authors.lastname: Sureban
authors.affiliation: Department of Pharmaceutical Sciences, College of Clinical Pharmacy, King Faisal University, Al-Ahsa - 31982, Saudi Arabia.
authors.forename: Harsha N
authors.initials: HN
authors.lastname: Sree
authors.affiliation: Department of Plant Biology and Plant biotechnology, SDNB Vaisnav College of Women, Chennai, India.
authors.forename: V
authors.initials: V
authors.lastname: Bhuvaneshwari
authors.affiliation: Department of Plant Biology and Plant biotechnology, SDNB Vaisnav College of Women, Chennai, India.
authors.forename: Evelin
authors.initials: E
authors.lastname: Kramony
keywords: BCL protein; Pesalotiopsis breviseta; TAXOL; isolation; protein docking