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Computer Aided Drug Design

  • Course level: Beginner

Description

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

Topics for this course

40 Lessons

Lecture 1 Introduction

Lecture 2 Drug Discovery – Issues00:00:00
Lecture 3 Target and Lead Identification00:00:00
Lecture 4 Drug And Data bases00:00:00
Lecture 5 Drug Properties00:00:00
Lecture 6 Drug – Properties/SMILES00:00:00
Lecture 7 Drug Solubility00:00:00
Lecture 8 Drug Solubility/permeability00:00:00
Lecture 9 ADME00:00:00
Lecture 10 Drug – ADME00:00:00
Lecture 11 Drug – ADME00:00:00
Lecture 12 Drug – BBB00:00:00
lecture 13 Pgp efflux/Drug Likeness00:00:00
Lecture 14 Drug Likeness00:00:00
Lecture 15 Molecular Modelling00:00:00
Lecture 16 Molecular Mechanics / Force Field00:00:00
Lecture 17 Molecular Mechanics / Force Field00:00:00
Lecture 18 Molecular Mechanics / Force Field00:00:00
Lecture 19 Molecular Mechanics / Force Field00:00:00
Lecture 20 ODES and Numerical methods00:00:00
Lecture 20 ODES and Numerical methods00:00:00
Lecture 21 ODES and Numerical methods00:00:00
Lecture 22 Conformational Search/MD00:00:00
Lecture 23 Quantum Mechanics00:00:00
Lecture 24 Quantum Mechanics00:00:00
Lecture 25 Quantitative Struture Activity Relationship(QSAR)00:00:00
LECTURE 26 Quantitative Structure Activity Relationship00:00:00
Lecture 27 Quantitative Struture Activity Relationship(QSAR)00:00:00
Lecture 28 Quantitative Struture Activity Relationship(QSAR)00:00:00
Lecture 29 Quantitative Struture Activity Relationship(QSAR)00:00:00
Lecture 30 Quantitative Struture Activity Relationship(QSAR)00:00:00
Lecture 31 3D QSAR00:00:00
lecture 32 Pharmacophore modelling00:00:00
Lecture 33 Target based drug design00:00:00
Lecture 34 Target based drug design00:00:00
Lecture 35 Target based drug design00:00:00
Lecture 36 Target based drug design00:00:00
Lecture 37 Docking00:00:00
Lecture 38 Docking00:00:00
Lecture 39 Pharmacokinetics/pharmacodynamics00:00:00
lecture 40 Pharmacokinetics/pharmacodynamics00:00:00
Free

Enrolment validity: Lifetime