Communication

Lead Hopping for PfDHODH Inhibitors as Antimalarials Based on Pharmacophore Mapping, Molecular Docking and Comparative Binding Energy Analysis (COMBINE): A Three-Layered Virtual Screening Approach

  1. Probir Kumar Ojha,
  2. Indrani Mitra,
  3. Supratik Kar,
  4. Rudra Narayan Das,
  5. Kunal Roy*

Article first published online: 7 SEP 2012

DOI: 10.1002/minf.201200045

Issue

Molecular Informatics

Molecular Informatics

Volume 31, Issue 10, pages 711–718, October 2012

Additional Information

How to Cite

Kumar Ojha, P., Mitra, I., Kar, S., Narayan Das, R. and Roy, K. (2012), Lead Hopping for PfDHODH Inhibitors as Antimalarials Based on Pharmacophore Mapping, Molecular Docking and Comparative Binding Energy Analysis (COMBINE): A Three-Layered Virtual Screening Approach. Mol. Inf., 31: 711–718. doi: 10.1002/minf.201200045

Author Information

  1. Drug Theoretics and Cheminformatics Laboratory, Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700 032, India phone: +91 98315 94140, fax: +91 33 2837 1078, URL: http://sites.google.com/site/kunalroyindia/

*Drug Theoretics and Cheminformatics Laboratory, Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700 032, India phone: +91 98315 94140, fax: +91 33 2837 1078, URL: http://sites.google.com/site/kunalroyindia/

Publication History

  1. Issue published online: 12 OCT 2012
  2. Article first published online: 7 SEP 2012
  3. Manuscript Accepted: 29 JUL 2012
  4. Manuscript Received: 10 MAY 2012

Funded by

  • University Grants Commission (UGC)
  • University Grants Commission
  • Council of Scientific and Industrial Research (CSIR)
  • Department of Science and Technology (DST)
  • Ministry of Human Resource and Development

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