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Bioinformatics 
• an interdisciplinary field that develops 
methods and software tools for understanding 
biological data 
• study of information content and information 
flow in biological systems and processes 
• the science of organizing and analyzing 
biological data
Applications of Bioinformatics 
• Gene Prediction 
• Structure Prediction 
• Expression Analysis 
• Drug Discovery 
• Compound Screening
Junie B. Billones, Ph. D. 
• Ph.D. in Chemistry 
• Associate Professor of Chemistry in DPSM, UP Manila 
• Assistant Director of National Institutes of Health 
Publications: 
- Towards Antituberculosis Drugs: Molecular Docking of 
Curcumin and its Analogues to Pantothenate 
Synthetase 
- Virtual Screening against Mycobacterium tuberculosis 
Lipoate Protein Ligase B (MtbLipB) and In Silico ADMET 
Evaluation of Top Hits

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Computer-Aided Drug Design Introduction

  • 1.
  • 2.
  • 3.
  • 4. Bioinformatics • an interdisciplinary field that develops methods and software tools for understanding biological data • study of information content and information flow in biological systems and processes • the science of organizing and analyzing biological data
  • 5. Applications of Bioinformatics • Gene Prediction • Structure Prediction • Expression Analysis • Drug Discovery • Compound Screening
  • 6. Junie B. Billones, Ph. D. • Ph.D. in Chemistry • Associate Professor of Chemistry in DPSM, UP Manila • Assistant Director of National Institutes of Health Publications: - Towards Antituberculosis Drugs: Molecular Docking of Curcumin and its Analogues to Pantothenate Synthetase - Virtual Screening against Mycobacterium tuberculosis Lipoate Protein Ligase B (MtbLipB) and In Silico ADMET Evaluation of Top Hits