title: Chemometric Based Identification and Validation of Specific Chemical Markers for Geographical, Seasonal and Gender Variations in Tinospora cordifolia Stem using HPLC-ESI-QTOF-MS Analysis.
abstract: BACKGROUND
  Tinospora cordifolia is a widely distributed medicinal plant used in various traditional and commercial Ayurvedic formulations. Due to the wide use of this plant it is important to know the extent of variability in the metabolite profile resulting from geographical location, season and gender.
  
  
  OBJECTIVE
  To develop a statistical approach based on phytochemical markers for confident prediction of variations in metabolic profile and cytotoxicity due to geographical, seasonal and gender difference in T. cordifolia stem.
  
  
  METHODS
  A HPLC-ESI-QTOF-MS method was used for the metabolite profiling of T. cordifolia stem. The data were analysed using chemometric methods including Student's t-test, ANOVA, FA/PCA and ROC curve analysis and validated for the identification of chemical variations. The bioactivity of selected samples was also tested using a cell cytotoxicity assay to assess the functional aspect of the phytochemical variability.
  
  
  RESULTS
  The chemometric approach applied here identified marker ions for geographical locations (m/z 294.1139 and 445.2136), seasons (m/z 344.1482, 359.1501, and 373.1305) and gender (m/z 257.1380) with 100% statistical sensitivity and specificity. An in vitro cytotoxicity evaluation revealed that male T. cordifolia stem was the most effective in inhibiting the growth of cancerous cell lines.
  
  
  CONCLUSIONS
  The developed and validated chemometric approach identified the analytical markers for phytochemical variations in unknown T. cordifolia stem samples from male or female plants and samples collected from different geographical locations and seasons. The results are supported by comparative cytotoxic activity data. Copyright © 2017 John Wiley & Sons, Ltd.
authors.affiliation: Sophisticated Analytical Instrument Facility, CSIR - Central Drug Research Institute, Lucknow, -226001, India.|Academy of Scientific and Innovative Research, New Delhi, -110001, India.
authors.forename: Vikas
authors.initials: V
authors.lastname: Bajpai
authors.affiliation: Sophisticated Analytical Instrument Facility, CSIR - Central Drug Research Institute, Lucknow, -226001, India.
authors.forename: Sunil
authors.initials: S
authors.lastname: Kumar
authors.affiliation: Sophisticated Analytical Instrument Facility, CSIR - Central Drug Research Institute, Lucknow, -226001, India.|Academy of Scientific and Innovative Research, New Delhi, -110001, India.
authors.forename: Awantika
authors.initials: A
authors.lastname: Singh
authors.affiliation: Academy of Scientific and Innovative Research, New Delhi, -110001, India.|Division of Endocrinology, CSIR-Central Drug Research Institute, Lucknow, -226031, India.
authors.forename: Jyotsana
authors.initials: J
authors.lastname: Singh
authors.affiliation: Biometry and Statistics Division, CSIR-Central Drug Research Institute, Lucknow, -226001, India.
authors.forename: M P S
authors.initials: MPS
authors.lastname: Negi
authors.affiliation: Betel Vine Biotechnology Lab, National Botanical Research Institute, Lucknow, -226001, India.
authors.forename: Sumit Kumar
authors.initials: SK
authors.lastname: Bag
authors.affiliation: Betel Vine Biotechnology Lab, National Botanical Research Institute, Lucknow, -226001, India.|B2/M91, SBI Colony, Sector B, Jankipuram, Lucknow, -226031, India.
authors.forename: Nikhil
authors.initials: N
authors.lastname: Kumar
authors.affiliation: Division of Endocrinology, CSIR-Central Drug Research Institute, Lucknow, -226031, India.
authors.forename: Rituraj
authors.initials: R
authors.lastname: Konwar
authors.affiliation: Sophisticated Analytical Instrument Facility, CSIR - Central Drug Research Institute, Lucknow, -226001, India.|Academy of Scientific and Innovative Research, New Delhi, -110001, India.
authors.forename: Brijesh
authors.initials: B
authors.lastname: Kumar
mesh_terms: D002851:Chromatography, High Pressure Liquid; D005843:Geography; D013058:Mass Spectrometry; D055442:Metabolome; D064209:Phytochemicals / Q000032:analysis*; D010936:Plant Extracts / Q000032:analysis*; D018547:Plant Stems / Q000737:chemistry*; D010946:Plants, Medicinal / Q000737:chemistry; D012621:Seasons; D031610:Tinospora / Q000737:chemistry*
chemical_list: D064209:Phytochemicals; D010936:Plant Extracts
keywords: Tinospora cordifolia; chemometry; cytotoxicity; metabolite profiling; validation