Cheminformatics And Drug Designing
Course
In Chennai
Price on request
Description
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Type
Course
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Location
Chennai
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Class hours
45h
Facilities
Location
Start date
Chennai
(Tamil Nādu)
See map
132 A, II Floor, Sterling Towers, IV Cross Street, Sterling Road, Nungambakkam, 600034
Start date
On request
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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).
Cheminformatics And Drug Designing
Price on request