Certificate Course in Computer Aided Drug Design

🚀 Certification Course in Computer Aided Drug Design (CADD) with Ateos Foundation of Science Education and Research

🧬 Unlock the Secrets of Drug Discovery through Advanced Computational Methods!

Dive into the World of Molecular Mechanics & Quantum Chemistry

Computer Aided Drug Design (CADD) stands at the intersection of biology, chemistry, and computational techniques, aiming to predict how well a molecule will interact with its biological target. This course demystifies the complex interplay between molecular mechanics, quantum chemistry, and drug design, providing you with an in-depth understanding of the computational approaches that drive modern pharmaceutical research.

🔍 Explore the Depths of Molecular Interactions

• Learn how molecular mechanics can estimate the strength of interactions between a molecule and its target, and how these methods predict conformations and potential changes in the target upon binding.
• Discover the role of semi-empirical quantum chemistry methods, ab initio quantum chemistry, or density functional theory in optimizing parameters and understanding electronic properties that influence drug affinity.

Predicting the Future of Drug Discovery

• Quantitative Predictions: Understand how computational methods aim to predict affinity before a compound is synthesized, potentially reducing the time and cost associated with drug development.
• Qualitative Insights: Gain knowledge on the iterative process of drug design, from initial design to final optimization, and how CADD has significantly accelerated this journey.

Stages of Drug Discovery Enhanced by CADD

1. Hit Identification: Utilize virtual screening to discover potential lead compounds using structure-based or ligand-based drug design (SDBB, LBDD).
2. Lead Optimization: Refine the affinity and selectivity of identified hits through advanced computational techniques.
3. Final Optimization: Focus on improving pharmaceutical properties while maintaining high affinity for the target.

Improving Prediction Accuracy in CADD

• Consensus Scoring: Learn how multiple scoring functions can vote for the most promising candidates to enhance prediction accuracy.
• Cluster Analysis: Understand how protein-ligand 3D information can be used to represent and cluster potential candidates for effective mining.

Course Contents

This comprehensive course will cover a range of topics, including:

1. Introduction to Basics Concept of Drug Design: Lay the foundation with fundamental concepts that are essential for understanding the field.
2. Computer Aided Drug Design (CADD): Explore the various computational tools and techniques used in modern drug discovery.
3. Types of Structure-Based Drug Design (SBDD): Dive into the different approaches used in SBDD to design effective drugs.
4. Steps in CADD: Learn the detailed process from data collection to model validation.
5. Pharmacophore Modelling: Understand how this technique helps identify potential drug candidates based on their key features.
6. Quantitative Structure-Activity Relationship (QSAR): Discover how mathematical and statistical methods can predict the activity of compounds.
7. Combinatorial Chemistry: Get to grips with the generation of diverse compound libraries for high-throughput screening.

Gain Practical Experience with Real-World Applications

For hands-on experience in CADD, particularly in Structure-Based Drug Design (SBDD), you can engage with Prescience In Silico Pvt Ltd, a leader in providing in silico solutions for drug discovery.

Embark on your journey to master the computational techniques that are transforming drug design. Enroll now and become proficient in leveraging advanced CADD methods to revolutionize the pharmaceutical industry! 🌟