title: BioPhytMol: a drug discovery community resource on anti-mycobacterial phytomolecules and plant extracts.
abstract: BACKGROUND
  Tuberculosis (TB) is the second leading cause of death from a single infectious organism, demanding attention towards discovery of novel anti-tubercular compounds. Natural products or their derivatives have provided more than 50% of all existing drugs, offering a chemically diverse space for discovery of novel drugs.
  
  
  METHODS
  BioPhytMol has been designed to systematically curate and analyze the anti-mycobacterial natural product chemical space. BioPhytMol is developed as a drug-discovery community resource with anti-mycobacterial phytomolecules and plant extracts. Currently, it holds 2582 entries including 188 plant families (692 genera and 808 species) from global flora, manually curated from literature. In total, there are 633 phytomolecules (with structures) curated against 25 target mycobacteria. Multiple analysis approaches have been used to prioritize the library for drug-like compounds, for both whole cell screening and target-based approaches. In order to represent the multidimensional data on chemical diversity, physiochemical properties and biological activity data of the compound library, novel approaches such as the use of circular graphs have been employed.
  
  
  CONCLUSIONS
  BioPhytMol has been designed to systematically represent and search for anti-mycobacterial phytochemical information. Extensive compound analyses can also be performed through web-application for prioritizing drug-like compounds. The resource is freely available online at http://ab-openlab.csir.res.in/biophytmol/. Graphical AbstractBioPhytMol: a drug discovery community resource on anti-mycobacterial phytomolecules and plant extracts generated using Crowdsourcing. The platform comprises of manually curated data on antimycobacterial natural products along with tools to perform structure similarity and visualization. The platform allows for prioritization of drug like natural products for antimycobacterial drug discovery.
authors.affiliation: Open Source Drug Discovery (OSDD) Unit, Council of Scientific and Industrial Research, New Delhi, India.
authors.forename: Arun
authors.initials: A
authors.lastname: Sharma
authors.affiliation: Open Source Drug Discovery (OSDD) Unit, Council of Scientific and Industrial Research, New Delhi, India.
authors.forename: Prasun
authors.initials: P
authors.lastname: Dutta
authors.affiliation: St. Stephens College, University of Delhi, New Delhi, India.
authors.forename: Maneesh
authors.initials: M
authors.lastname: Sharma
authors.affiliation: Open Source Drug Discovery (OSDD) Unit, Council of Scientific and Industrial Research, New Delhi, India.
authors.forename: Neeraj Kumar
authors.initials: NK
authors.lastname: Rajput
authors.affiliation: Department of Applied Mathematics and Bioinformatics, Faculty of Technology and Engineering, The Maharaja Sayajirao University of Baroda, Vadodara, Gujarat India.
authors.forename: Bhavna
authors.initials: B
authors.lastname: Dodiya
authors.affiliation: Department of Bioinformatics, Christ College, Rajkot, Gujarat India ; Department of Biochemistry and Molecular Biology, University Clinic of Bonn (UKB), University of Bonn, Bonn, Germany.
authors.forename: John J
authors.initials: JJ
authors.lastname: Georrge
authors.affiliation: Department of Bioinformatics, Christ College, Rajkot, Gujarat India.
authors.forename: Trupti
authors.initials: T
authors.lastname: Kholia
authors.affiliation: Open Source Drug Discovery (OSDD) Unit, Council of Scientific and Industrial Research, New Delhi, India.
authors.forename: Anshu
authors.initials: A
authors.lastname: Bhardwaj
keywords: Anti-TB; Anti-mycobacterial; Anti-tubercular; BioPhytMol; Crowdsourcing; Drug discovery; TB; Tuberculosis