Course details
OriGene Biosolutions is a premier life science research and training organization dedicated to advancing bioinformatics and data analysis. Tailored solutions for your bioinformatics needs.
Professional Certification in Protein Modelling & Rational Drug Designing
Level
Advanced
Advanced
Duration
3 Months | 12 hours per week
3 Months | 12 hours per week
Flexible Schedule
Learn from anywhere.
Learn from anywhere.
Modules
7
7
Capsote Project
Real-world project with publication.
Real-world project with publication.
Course Modules
Enroll Now- Protein structure hierarchy (primary to quaternary)
- Overview of drug discovery pipelines
- Introduction to structure-based drug design (SBDD) and ligand-based drug design (LBDD)
- Homology modeling (Swiss-Model, Modeller)
- Threading and ab initio methods
- Model refinement and energy minimization
- Structure validation (Ramachandran plots, ProSA, Verify3D)
- 2D to 3D ligand generation (ChemSketch, MarvinSketch)
- Protein preparation (removal of water, ionization states)
- Conformational sampling and optimization
- Rigid vs flexible docking
- Docking tools: AutoDock, AutoDock Vina, Glide
- Grid preparation, scoring functions, and result interpretation
- Basics of MD and force fields
- Setting up MD runs (GROMACS or NAMD)
- Trajectory analysis and system stability
- Ligand-based pharmacophore generation (LigandScout/PharmaGist)
- 2D & 3D-QSAR (ADMET Predictor, QSARINS)
- Validation and interpretation of predictive models
- Virtual screening strategies (structure-based and ligand-based)
- ADMET profiling and drug-likeness (SwissADME, pkCSM)
- Lead optimization strategies
- Case studies: COVID-19 Mpro, kinase inhibitors, etc.
Course Overview
This course is focused on the principles and practical tools of protein structure modeling, molecular docking, pharmacophore development, and structure-based drug discovery. Students will gain hands-on experience in in silico drug design workflows used in both academia and the pharmaceutical industry.
This course is focused on the principles and practical tools of protein structure modeling, molecular docking, pharmacophore development, and structure-based drug discovery. Students will gain hands-on experience in in silico drug design workflows used in both academia and the pharmaceutical industry.
What You'll Learn
Protein structure prediction and validation techniques
Ligand preparation and receptor-based virtual screening
Molecular docking and dynamics simulations
Pharmacophore modeling and QSAR techniques
Tools and databases for drug discovery
Case studies in rational drug design
Who Can Register
UG/PG life science students, PhD scholars, biotech/pharma professionals, and anyone seeking a strong foundation in structure-based drug design.
UG/PG life science students, PhD scholars, biotech/pharma professionals, and anyone seeking a strong foundation in structure-based drug design.
Prerequisites
Basic molecular biology and biochemistry
Introductory knowledge of structural biology
Basic computer handling and chemistry fundamentals