Computer Aided Drug Design

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About Course

Computer Aided Drug Design

Drug research and discovery is a time-consuming and costly procedure., Several applicants who are enrolled in clinical trials fail for a variety of reasons. Computer-assisted drug design can shorten the process, eliminate surprises, and forecast attributes, lowering R&D costs.

The course will use many free software to address structure and target-based design, molecular modeling, quantum physics, drug similarity characteristics, QSAR, and pharmacokinetics and dynamics.

Layout of the Computer Aided Drug Design course
Week 1: An overview of medication development
Week 2: Property and structure
Week 3: ADME-requirements
Week 4:Force field/MM/QM
Week 5: Formation/Boundary circumstances
Week 6: Pharmacophore/QSAR
Week 7: Structures of enzymes and proteins, as well as docking
Week 8:PK/PD

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Course Content

Lecture 1 Introduction

  • Lecture 2 Drug Discovery – Issues
    00:00
  • Lecture 3 Target and Lead Identification
    00:00
  • Lecture 4 Drug And Data bases
    00:00
  • Lecture 5 Drug Properties
    00:00
  • Lecture 6 Drug – Properties/SMILES
    00:00
  • Lecture 7 Drug Solubility
    00:00
  • Lecture 8 Drug Solubility/permeability
    00:00
  • Lecture 9 ADME
    00:00
  • Lecture 10 Drug – ADME
    00:00
  • Lecture 11 Drug – ADME
    00:00
  • Lecture 12 Drug – BBB
    00:00
  • lecture 13 Pgp efflux/Drug Likeness
    00:00
  • Lecture 14 Drug Likeness
    00:00
  • Lecture 15 Molecular Modelling
    00:00
  • Lecture 16 Molecular Mechanics / Force Field
    00:00
  • Lecture 17 Molecular Mechanics / Force Field
    00:00
  • Lecture 18 Molecular Mechanics / Force Field
    00:00
  • Lecture 19 Molecular Mechanics / Force Field
    00:00
  • Lecture 20 ODES and Numerical methods
    00:00
  • Lecture 20 ODES and Numerical methods
    00:00
  • Lecture 21 ODES and Numerical methods
    00:00
  • Lecture 22 Conformational Search/MD
    00:00
  • Lecture 23 Quantum Mechanics
    00:00
  • Lecture 24 Quantum Mechanics
    00:00
  • Lecture 25 Quantitative Struture Activity Relationship(QSAR)
    00:00
  • LECTURE 26 Quantitative Structure Activity Relationship
    00:00
  • Lecture 27 Quantitative Struture Activity Relationship(QSAR)
    00:00
  • Lecture 28 Quantitative Struture Activity Relationship(QSAR)
    00:00
  • Lecture 29 Quantitative Struture Activity Relationship(QSAR)
    00:00
  • Lecture 30 Quantitative Struture Activity Relationship(QSAR)
    00:00
  • Lecture 31 3D QSAR
    00:00
  • lecture 32 Pharmacophore modelling
    00:00
  • Lecture 33 Target based drug design
    00:00
  • Lecture 34 Target based drug design
    00:00
  • Lecture 35 Target based drug design
    00:00
  • Lecture 36 Target based drug design
    00:00
  • Lecture 37 Docking
    00:00
  • Lecture 38 Docking
    00:00
  • Lecture 39 Pharmacokinetics/pharmacodynamics
    00:00
  • lecture 40 Pharmacokinetics/pharmacodynamics
    00:00

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