Molecular Docking and

Antiviral Compounds Online 

Course Structure

Molecular Virology

•  Introduction to Viruses

• Viruses- problem must be solved 

• Viral Pathogenesis

• Host Defenses against Viruses

• Barrier Defenses

  • The Innate Defense System

  • The Adaptive Immune System

  • Viral Detection

Introduction to Computer Aided Drug Design

• Databases for drug design

  • Zinc Database

  • Drug Bank

  • Drugs.com

  • PubChem

• Drawing Drug Structure

• Drugs Likeness Properties (Theoretical and Practical)

Target audience

Students of biotechnology, chemistry, pharmacy, medicine and employees from governmental labs/ Institutes, Industries, pharmacies, Hospitals, Pathology and microbiology Laboratories.

Molecular Docking - (Practical)

• Ligand Preparation

  • PubChem Database for 3D Structure 

  • Chem-Sketch Software for 3D Structure from Canonical SMILES

  • Open-Babel Software to Convert SDF or MOL to PDB Format

  • Autodock4 Software to Convert PDB to PDBQT Format

• Protein Modelling

  • Protein Data Bank Database

  • Swiss-Model Server for Protein Modeling

• Protein Preparation

  • Autodock 4 to Prepare Protein for Docking

  • Active Site Prediction

• Final Docking

  • Autodock Vina Software

• Analysis of Final Structure

  • Chimera Software

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