Computer aided drug design nptel assignment

  • How to do computer-aided drug design?

    SBDD is an iterative process and it proceeds through multiple cycles leading an optimized drug candidate to clinical trials.
    Generally, a drug discovery process consists of four steps: the discovery phase, development phase, clinical trial phase, and registry phase..

  • What does computer-aided drug design include?

    CADD is a modern computational technique used in the drug discovery process to identify and develop a potential lead [10, 14, 15].
    Computer-aided drug design includes computational chemistry, molecular modeling, molecular design and rational drug design..

  • What is the syllabus of computer-aided drug design course?

    The Computer-Aided Drug Design syllabus includes Introduction to drug discovery, ADME-rules, Structure and property, Force field/MM/QM, QSAR/Pharmacophore, Boundary conditions/Conformation, PK/PD, Enzymes/proteins structures/docking, etc..

  • What software is used in computer-aided drug design?

    Computer-Aided Drug Design (CADD) emerged as an efficient means of identifying potential lead compounds and for aiding the developments of possible drugs for a wide range of diseases [8, 9].
    Today, a number of computational approaches are being used to identify potential lead molecules from huge compound libraries..

So this particular talk is going to introduce this topic of Computer aided drug design. So what is this drug discovery, so this is the process by which a drug 

Can computer-assisted drug design lead to new antiviral drugs?

Lett 11, 91–94 (2001) Von Itzstein, M et al

Rational design of potent sialidase-based inhibitors of influenza virus replication

, 418–423 (1993)

The first demonstration of how computer-assisted drug design, based on the crystal structure of the influenza viral neuraminidase, could lead to the development of new antiviral drugs

What is computer assisted drug design?

Computer assisted drug design can speed up the process, reduce surprises and predict the properties, thereby reduce the cost of R&D

The course will cover structure and target based design, molecular modeling, quantum mechanics, drug likeness properties, QSAR and pharmacokinetic and dynamics using several softwares

What is the deadline for computer aided drug design?

Computer Aided Drug Design: Reminder for Assignment 1 & 2 deadline!! The Deadline for Assignments 1 & 2 will close on Wednesday, [10/08/2022], 23:59 IST

Kindly submit the assignments before the deadline

Computer Aided Drug Design : Problem solving Session Reminder!!


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