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
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