B.Pharmacy 8th Semester Computer Aided Drug Design Notes & Important Question Answer
B.Pharma VIIIth Semester Computer Aided Drug Design Important Topics With All The Important Question And Answer Are Publish Here Download the Pdf and Give boost To Your Preparation. Stay Connected with us for your future examination all the important content will publish here . Your Full Pharmacy Syllabus will Be published here.
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| B.Pharmacy 8th Semester Computer Aided Drug Design Notes |
Computer Aided Drug Design - Unit 1
Introduction to Drug Discovery and Development
Molecular basis of drug action
Drug targets: Receptors, enzymes, ion channels, transporters
Drug-receptor interactions
Introduction to computer-aided drug design (CADD)
Role of CADD in drug discovery and development
Structure-based drug design
Ligand-based drug design
Computer Aided Drug Design - Unit 2
Molecular modeling: Introduction and applications
Molecular mechanics and quantum mechanics
Energy minimization
Conformational analysis
Molecular dynamics simulations
Force fields
Geometry optimization
Energy calculations
Computer Aided Drug Design - Unit 3
Quantitative Structure Activity Relationship (QSAR):
Introduction, history and development of QSAR
Physicochemical parameters
Hansch analysis
Free Wilson analysis
3D-QSAR approaches: CoMFA and CoMSIA
Statistical methods in QSAR analysis
Validation of QSAR models
Computer Aided Drug Design - Unit 4
Molecular docking:
Introduction
Types of docking
Rigid and flexible docking
Scoring functions
Validation of docking results
Applications of molecular docking
Pharmacophore modeling
Virtual screening
Computer Aided Drug Design - Unit 5
Computer-aided drug design tools and software
Bioinformatics: Introduction, tools and applications
Chemoinformatics: Introduction, chemical databases, chemical structure representation
ADMET prediction
Challenges and limitations of CADD
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