Cheminformatics And Drug Designing

In Chennai

Price on request
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Important information

  • Course
  • Chennai
  • 45 hours of class

Important information

Where and when

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

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