In-Silico Drug Discovery: From Atoms to Algorithms
A comprehensive journey through the computational revolution in pharmaceutical research. Designed for students and researchers, this course bridges the gap between traditional medicinal chemistry and modern in-silico methods, providing practical skills in virtual screening, molecular modeling, and data-driven drug design.
60,000 SDG
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Course Content
Module 1
Introduction to Drug Discovery and Development
- 1.1 Historical Background
- 1.2 The Drug Discovery Pipeline
- 1.3 Challenges in Conventional Drug Discovery
- 1.4 Emergence of In-Silico Methods
- 1.5 Interdisciplinary Nature
Module 2
Fundamentals of Medicinal Chemistry
- 2.1 Basic Concepts
- 2.2 Types of Chemical Interactions
- 2.3 Physicochemical Properties
- 2.4 Functional Groups and Structural Features
- 2.5 Stereochemistry
- 2.6 Drug-Likeness and ADME
- 2.7 Pharmacophore Concept
Module 3
Understanding Drug Targets and Protein Structures
- 3.1 Biological Targets Overview
- 3.2 Protein Structure
- 3.3 Binding Sites
- 3.4 Structural Biology Techniques
- 3.5 Protein Databases
- 3.6 Protein Visualization
Module 4
Ligands and Chemical Databases
- 4.1 Understanding Ligands
- 4.2 Ligand Databases
- 4.3 Molecular Representations
- 4.4 Chemical File Formats
- 4.5 Chemical Similarity and Compound Search
Module 5
Fundamentals & Integration of Computational Tools
- 5.1 Categories of In-Silico Methods
- 5.2 Computational Tool Ecosystem
- 5.3 Typical In-Silico Workflow
- 5.4 Reliability, Limitations, and Best Practices
- 5.5 Integration with Experimental Research
