Cheminformatics And Drug Designing

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Price on request

Important information

  • Course
  • Chennai
  • 45 hours of class
Description

Important information
Venues

Where and when

Starts Location
On request
Chennai
132 A, II Floor, Sterling Towers, IV Cross Street, Sterling Road, Nungambakkam, 600034, Tamil Nadu, India
See map

Course programme

Unit I: Databases: Chemical Structure Databases (PubChem, Bindingdatabase,Drugbank,). Drawing the Chemical Structure: 2D & 3D drawing tools (ACD Chemsketch) Structure optimization. Unit II: Representation of Molecules and Chemical Reactions: Different types of Notations, SMILES Coding, Structure of Mol files and Sd files,( Molecular converter, SMILES Translator). Similarity search of the molecule (Zinc Database). Unit III: Drug Designing: Prediction of Properties of Compounds, QSAR- Data Analysis, Structure-Activity Relationships, Electronic properties, Lead Identification, Molecular Descriptor Analysis. Unit IV: Target Identification: Molecular Modeling and Structure Elucidation: Homology Modelling (Modeller 9v7, PROCHECK), Visualization and validation of the Molecule (Rasmol, Pymol Discovery studio), Applications of Cheminformatics in Drug Research-Chemical Libraries, Virtual Screening, Prediction of Pharmacological Properties. Unit V: Drug Discovery: Structure based drug designing (AUTODOCK, ARGUS Lab), Pharmacophore-Based Drug Design. Toxicity Analysis-Pharmacological Properties (Absorption, Distribution and Toxicity), Global Properties (Oral Bioavailability and Drug-Likeness) (ADME, OSIRIS, and MOLINSPIRATION).