About the Program
The Computer-Aided Drug Design (CADD) program is designed to provide learners with in-depth knowledge of computational drug design techniques, including molecular modeling, docking, pharmacophore modeling, QSAR analysis, and AI-driven approaches. With hands-on exposure to real-world projects and drug discovery workflows, you’ll gain the expertise to accelerate drug design processes efficiently and confidently.
What You’ll Learn
- Introduction to Drug Discovery and CADD Workflow
- Molecular Modeling and 3D Structure Generation
- Protein and Ligand Preparation for Docking
- Molecular Docking and Scoring Techniques
- Pharmacophore Modeling and Virtual Screening
- QSAR Analysis and ADMET Prediction
- AI/ML applications in computational drug design
Why Choose This Course?
- Hands-on projects with industry-standard software
- Exposure to real-time computational drug design workflows
- Industry-relevant training for pharma and biotech roles
- Career support, mentorship, and placement assistance
- YVU–SkillDzire recognized certification
Who Can Join?
Ideal for graduates, life science students, pharmacy professionals, and individuals aspiring to build a career in Pharma, Biotechnology, or Computational Drug Design.
Course Curriculum
1. Introduction & CADD Workflow
- Overview of Drug Discovery Process
- Role of CADD in Industry
- CADD Workflow & Applications
2. Biological Databases
- Major Databases: PDB, UniProt, ChEMBL
- Retrieving and Preparing Biological Data
- Target Identification Using Databases
3. Molecular Modeling
- 2D to 3D Structure Generation
- Energy Minimization & Force Fields
- Homology Modeling Basics
4. Molecular Visualization
- Using PyMOL/Chimera for Structure Viewing
- Interpreting Protein-Ligand Interactions
5. Ligand & Protein Preparation
- Ligand Optimization
- Protein Cleaning (Water/Ions removal, Adding Hydrogens)
- Protonation & Charge Assignment
6. Molecular Docking
- Docking Principles: Rigid vs Flexible
- Scoring Functions & Docking Algorithms
- Performing Docking Using AutoDock or Similar Tools
7. QSAR & ADMET Prediction
- Introduction to QSAR and Molecular Descriptors
- QSAR Model Development
- ADMET Tools: SwissADME, pkCSM, etc.
8. Real-Time Projects & Hands-On Tasks
- Molecular Docking & MD Simulation using GROMACS/Desmond
- AI/ML-Driven De Novo Drug Design (GANs, Transformers)
- ADMET & Toxicity Prediction (hERG, BBB, CYP450)
- Pharmacophore Modeling & Virtual Screening
- Structure-Based Design for Multi-Target Inhibitors
Earn Your Certificate
On completion, you’ll receive an industry-recognized certificate from YVU – SkillDzire.
Hands-On CADD Projects
Molecular Docking & MD Simulation
Perform protein-ligand docking and simulate complex stability using GROMACS or Desmond for real-world drug targets.
AI/ML-Driven De Novo Drug Design
Design novel molecular scaffolds using Generative Models (GANs, Transformers) and predict binding affinities with machine learning.
ADMET & Toxicity Prediction
Evaluate pharmacokinetic properties and toxicity (hERG inhibition, BBB penetration, CYP450 metabolism) using computational tools and deep learning.
Career Outcomes
Computational Chemist
Salary Range: ₹4–8 LPA
Drug Design Analyst
Salary Range: ₹5–10 LPA
AI/ML in Pharma Specialist
Salary Range: ₹6–12 LPA
What Our Students Say
“The CADD program helped me understand molecular docking and drug design workflows. The hands-on projects with AutoDock and PyMOL were extremely practical and industry-relevant.”
– Rohan, PharmaCorp
“I gained exposure to AI/ML applications in computational chemistry. The real-time molecular dynamics simulations improved my confidence to work as a Drug Design Analyst.”