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Computer Aided Drug Design (CADD)

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Computer Aided Drug Design (CADD)

Computer Aided Drug Design (CADD) is an exciting and an integral tool which involves diverse discipline of both applied and basic biological research.

Course Goal
  • The aspirant would be familiarised with Computer Aided Drug Design (CADD)
  • The aspirant will have an in-depth overview over the state-of-the-art methods and techniques
  • Will be able to understand, interpret and perform the biological calculations
Curriculum
Module: 1 Modern drug design: what requirements must a drug fulfill
  • Stages and cost of modern drug design
  • Tools and teams in modern drug design
  • The role of computational chemistry in drug design
  • Drug discovery: filtering out failures
  • Rational molecular design in drug research
  • ● Computer assisted drug design (CADD)
Module: 2 What is CADD?
  • Lock-key principle and induced fit theory
  • CADD and molecular modeling
  • Success stories of CADD
Module: 3: Molecular modeling and drug designing
  • Molecular mechanics (MM)
  • The concept of force field in MM
  • Nonbonded interaction potential
  • Force field energies
  • Classification of force fields
  • QM/MM methods
  • Energy Minimization methods
  • Conformational searching
  • Conformations of biomacromolecules
  • Systematic search methods
  • Random search methods
  • Genetic algorithms
  • Distance geometry
Module: 4 Protein Modeling
  • The protein data rank (PDB)
  • Relationship between sequence and 3D structure of a protein
  • Alignment of protein sequences
  • needleman-Wunsch alignment method
  • Multiple sequence alignments (MSA)
  • Homology modeling of proteins
  • Construction of the core
  • Refinement of the homology model
  • Model verification
  • Comparison of various strategies in homology modeling
  • Drug designing
  • Molecular recognition
  • Structure-based ligand design
  • Molecular docking
  • Virtual screening
  • Structure-based pharmacophore generation
  • Pharmacophore representation
  • De Novo design of ligands
  • Peptides and peptide analogs as drugs: Peptidomimetics
  • Basic concepts of QSAE
  • 2D-QSAR in drug design
  • Principal component analysis (PCA)
  • Partial least squares method (PLS)
  • COMFA and COMSIA
  • ADMET calculation
Module V: Pharmacovigilance Compliance-Planning Programs & Drug Risks Benefits
  • Basics of pharmacovigilance and its terms
  • Pharmacovigilance planning
  • Pharmacovigilance management compliance
  • Drug risk management & studies
  • Pharmacoepidemiology and drug evaluation
  • Economic evaluation of pharmaceuticals and clinical practice
Need Help?
  • 04066844855

    09989330160

  • Email: writeus@syntenylifesciences.com

  • Windsor Plaza, Vegitable Market Road, New Nallakunta Center,Hyderabad.

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Many students and entrepreneurs often restrict themselves in learning and at the same time mastering a specialised area of biological studies rather than taking up the holistic study of complete life sciences.

Contact Us
  • Windsor Plaza, Vegitable Market Road, New Nallakunta Center,Hyderabad.

  • Email: writeus@syntenylifesciences.com

  • 04066844855

    09989330160

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