Course Highlights
This course covers fundamentals of bioinformatics, protein structure modeling, molecular docking, ligand design, ADME/Toxicity prediction, and machine learning applications in CADD. Learners gain practical exposure with hands-on demos using tools like NCBI, UniProt, AutoDock, PyMOL, SwissADME, GROMACS, and Weka, along with case studies from real-world drug discovery projects.
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Skill Type
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Course Duration
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Domain
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GOI Incentive applicable
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Course Category
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Nasscom Assessment
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Placement Assistance
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Certificate Earned
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Content Alignment Type
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NOS Details
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Mode of Delivery
Course Details
What will you learn in Computer Aided Drug Designing (CADD)?
- Understand fundamentals of CADD and bioinformatics databases
- Perform sequence analysis, protein modeling, and ligand preparation
- Conduct molecular docking and interpret binding interactions
- Evaluate ADME/Toxicity of drug candidates
- Apply machine learning in CADD for predictions
- Work with case studies in drug discovery
Why should you take Computer Aided Drug Designing (CADD)?
- Learn practical skills with demos on leading bioinformatics and CADD tools
- Gain expertise in molecular docking, ligand design, and ADME/Toxicity analysis
- Understand integration of machine learning in drug discovery
- Enhance employability in pharmaceutical research and development, and computational biology
- Earn an industry-recognised certification in CADD
Who should take Computer Aided Drug Designing (CADD)?
- Students of bioinformatics, pharmacy, biotechnology, or chemistry
- Professionals in pharma and life sciences seeking to upskill
- Researchers in drug discovery and computational biology
- Academicians looking to integrate CADD into their curriculum
- Entrepreneurs in biotech and healthcare domains
Curriculum
Level 1 - Bioinformatics and Sequence Analysis
- Introduction to Bioinformatics and Databases (NCBI, UniProt, PDB, dbSNP)
- Sequence Analysis and Phylogenetics (Clustal, BLAST, MEGA)
- Introduction to CADD and Drug Discovery Pipeline
- Protein Structure Modeling (SWISS-MODEL, Phyre2, I-TASSER, AlphaFold)
Level 2 - Protein and Ligand Preparation, Docking
- Protein Preparation (Maestro, SPDBV)
- Ligand Collection and Preparation (PubChem, ChEMBL, DrugBank, MarvinSketch, OpenBabel)
- Molecular Docking (AutoDock, Vina, CastP, PyMOL)
- Ligand-based Drug Design (Pharmacophore Modeling, SwissSimilarity)
Level 3 - ADME, Dynamics and Machine Learning in CADD
- Toxicity and ADME Prediction (SwissADME, ProTox-II)
- Protein Structure and Dynamics (JPred, DSSP, GROMACS)
- CADD using Machine Learning (Bioassay datasets, PaDEL, Weka, ML models, performance evaluation)
- Final Applications: Case Studies and Simulations
Tools you will learn in Computer Aided Drug Designing (CADD):
Skills
- Bioinformatics and Sequence Analysis
- Protein Modeling and Docking
- Ligand Preparation and Pharmacophore Modeling
- ADME/Toxicity Prediction
- Machine Learning in CADD
- Drug Discovery Pipeline Understanding
Tools
- NCBI, UniProt, PDB, dbSNP
- SWISS-MODEL, Phyre2, I-TASSER, AlphaFold
- Maestro, SPDBV, PubChem, ChEMBL, DrugBank
- AutoDock, Vina, PyMOL, SwissADME, GROMACS, Weka