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Departments

Department of Pharmacoinformatics

  1. About the Department
  2. Faculty
  3. Staff
  4. Research Facilities
  5. Contact Information

About the Department

Drug discovery research has become much more complex science requiring a multidisciplinary approach. Converging concepts of several disciplines such as molecular biology, chemistry, toxicology, pharmaceutical sciences and computational technology has become more than a trend in education. It has become a necessity for solving real-world problems. This course is designed to teach the new millennium drug discovery science to the pharmacy graduates to become the successful drug discovery scientist in pharmaceutical industry.

The objectives are,

  • To teach the science and art of “New Millennium Drug Discovery’ for faster drug development.
  • To teach the information management and integration techniques in the field of Biology, Chemistry, Toxicology, Pharmaceutical sciences and Pharmacy practice.
  • To integrate diverse information into discovery knowledge by exploiting the advantages of emerging fields like bio-informatics, chemo-informatics, toxico-informatics, pharmacy-informatics, etc

Distinctiveness

  • The center is equipped to carry out research and provide training in the advanced areas of genomics, proteomics, computational drug discovery techniques including bioinformatics, QSAR, Molecular Docking, pharmacophore mapping, chemoinformatics, computational ADME / Toxicity prediction methods, pharmaceutical informatics and medical informatics.
  • The focus of this centre is on the practical applications of computer aided target identification, validation and drug-design, this centre is quite different from other academic centres where the focus is either on theoretical studies or on development of bioinformatic methods or on chemoinformatic methods.

Projects Completed and Ongoing

Training and Continuing Education Programs

In order to keep pharmacy professionals acquainted with the latest developments in the field of pharmacy, the institute conducts training programs from time to time. NIPER has been empanelled by Ministry of External Affairs, Government of India to conduct training programs on regulatory aspects in pharmaceutical sciences for the international delegations and also by Ministry of Health to conduct training programs for drug regulatory staff, government analysts and technical and analytical staff from SSIs. The institute can provide specialized training in the following areas :

  • cGMP/GLP, validation procedures in pharmaceutical industry
  • Standardisation of herbal products
  • Macro and micro-propagation of medicinal plants
  • Separation techniques
  • Modern analytical techniques for quality assurance
  • Impurity profiles of bulk pharmaceutical chemicals and their formulations
  • Degradation chemistry and stability testing of drugs and pharmaceuticals
  • Bioavailability and bioequivalence of pharmaceutical dosage forms
  • Documentation in pharmaceutical research, development and manufacturing
  • Recombinant DNA technology for drugs
  • Secretory proteins and biomass production through fermentation
  • Primary drug screenings
  • Regulatory toxicology
  • Synthesis and technology of chiral drugs
  • Scale up techniques in pharmaceutical industry
  • Development of eco-friendly processes
  • Generation of combinatorial libraries of small molecules
  • Computer aided drug design
  • Pharmaceutical project management

Contact Information

Prof. P. V. Bharatam, M.Sc., Ph.D.

In-charge, Department of Pharmacoinformatics (Professor, Department of Medicinal Chemistry)

pi@niper.ac.in

pvbharatam@niper.ac.in

  +91-172-2214682-86 Extn. 2018

  +91-172-2214692

Research Facilities

Hardware :

  • 4 GPU with Dual Hexa-core processor
  • 5 Dell Workstation
  • 3 Fujitsu Workstation
  • 1 HCL Workstation
  • 1 Mobile Workstation
  • 1 Silicon Graphics Tezro
  • 5 Silicon Graphics Fuel
  • 6 Sun Microsystems
  • Sun fire F2100 server with 10 CPUs
  • Apart from these dedicated desktop for each student
  • Computer cluster : In pharmacoinformatics department there are 3 common clusters (HCl, IBM and Fujitsu)

Software :

  • Molecular Modeling : SYBYL, Schrodinger, Accelerys – Discovery Studio, MOE, LigandScout, ChemOffice
  • Molecular Dynamics Simulation : VASP, NAMD, CPMD, AMBER, GROMACS , Desmond
  • Quantum Chemistry : Gaussian03
  • Bioinformatics : EMBOSS, Bioedit, Biosuite, GenMAPP, AVADIS
  • Chemoinformatics : DS Accord for Excel, Unity4, OpenEye
  • Toxicity Prediction : TOPKAT, DEREK
  • Molecular Docking : GOLD, GLIDE, FlexX, Autodock
  • Database Management : ORACLE Clinical, MS Access
  • ADMET suite : Gastro-Plus, ACD labs, MetaSite
  • Molecular descriptors calculation : Dragon-6
  • Development of algorithms and software for the solution of applied optimization problems : METLAB, TOMLAB/BASE and TOMLAB/CPLEX.

In-House Developed Software Tools :

  • CPMD IFGen server :
  • For generating input file for CPMD (Car-Parrinello Molecular Dynamics)
  • ReSite :
  • A Tool for analysis of the active site residues in protein-ligand interactions
  • DoPoSe-CYP :
  • Docked Pose Selector in CYP450
  • ChemCLEAN :
  • 2-D structure optimization
  • DruLiTo :
  • For screening lead molecules based on different drug-likeness rules
  • DeProCa :
  • A tool to calculate Structural properties of Dendrimers.
  • DruLiTo Plus :
  • DruLiTo Plus tools predict the absorption of the drug molecule based upon the Drug-likeness Rules plus metabolizing CYP isoform of a drug molecule/substrate, based on SVM models developed using CDK descriptors.
  • EsPRO :
  • A Protein estimation tool, help in calculating the protein concentration of test samples using the information provided by the user.
  • PharmDy Tool–1.0 :
  • An automated tool to convert absorbance values into different pharmacodynamics parameters and assist in choosing the best formulation.
  • Q2 VALIDATOR(1.0) :
  • This is the tool for method validation like UV and HPLC.
  • BiAnaCA (Biochemical assay Analyzer and CAlculator)

Faculty

Prof. Prasad V. Bharatam

Designation : In-charge, (Department of Pharmacoinformatics) Email: pvbharatam@niper.ac.in Biosketch :

Prof. Prabha Garg

Designation : Professor, (Department of Pharmacoinformatics) Email: prabhagarg@niper.ac.in Biosketch :

Dr. M. Elizabeth Sobhia

Designation : Associate Professor, (Department of Pharmacoinformatics) Email: mesophia@niper.ac.in Biosketch :

Staff

Mr. Vishnu Kumar Sharma

Designation : JTA Email: vishnu@niper.ac.in Biosketch :