Computer Aided Drug Design

By Prof. Mukesh Doble   |   IIT Madras
Learners enrolled: 4081
Drug discovery and development is a time consuming and expensive process., taking about 10 years and costing about US 1.0 B dollars. Several candidates that enter clinical trials fail because of several reasons. 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 that are freely available.

Biotech/Pharmaceuticals/Bioinformatics /Chemistry and allied programmes and research scientists in biotechnology and pharma industries and clinicians/medical practioners

Prior knowledge of biochemistry, bioinformatics

Pharmaceutical industries/Biopharma/biotech
Course Status : Completed
Course Type : Core
Duration : 8 weeks
Category :
  • Biological Sciences & Bioengineering
  • Computational Biology
Credit Points : 2
Level : Undergraduate/Postgraduate
Start Date : 25 Jul 2022
End Date : 16 Sep 2022
Enrollment Ends : 08 Aug 2022
Exam Date : 25 Sep 2022 IST

Note: This exam date is subjected to change based on seat availability. You can check final exam date on your hall ticket.

Page Visits

Course layout

Week 1  :  Introduction to drug discovery
Week 2  :  Structure and property
Week 3  :  ADME-rules
Week 4  :  Force field/MM/QM 
Week 5  :  Boundary conditions/Conformation 
Week 6  :  QSAR/Pharmacophore
Week 7  :  Enzymes/proteins structures/docking
Week 8  :  PK/PD

Books and references

1. Voit E (2012) A First Course in Systems Biology. Garland Science, 1/e. ISBN 0815344678 • Klipp E (2009) Systems biology: a textbook. Wiley-VCH, 1/e. ISBN 9783527318742 • Newman MEJ (2011) Networks: an introduction. Oxford Univ. Press. ISBN 9780199206650

Instructor bio

Prof. Mukesh Doble

IIT Madras
Mukesh Doble: Professor at the department of Biotechnology at IIT Madras. Has previously worked in Imperial chemical Industries(ICI) and General Electric(GE) for 20 years . Areas of research are Biomaterials, Biopolymers and Drug design. Published 270 papers and 10 books and filed 10 patents (including two US). Has delivered on line video courses in Downstream processes and Biostatistics.

Course certificate

The course is free to enroll and learn from. But if you want a certificate, you have to register and write the proctored exam conducted by us in person at any of the designated exam centres.
The exam is optional for a fee of Rs 1000/- (Rupees one thousand only).
Date and Time of Exams: 25 September 2022 Morning session 9am to 12 noon; Afternoon Session 2pm to 5pm.
Registration url: Announcements will be made when the registration form is open for registrations.
The online registration form has to be filled and the certification exam fee needs to be paid. More details will be made available when the exam registration form is published. If there are any changes, it will be mentioned then.
Please check the form for more details on the cities where the exams will be held, the conditions you agree to when you fill the form etc.


Average assignment score = 25% of average of best 6 assignments out of the total 8 assignments given in the course.
Exam score = 75% of the proctored certification exam score out of 100

Final score = Average assignment score + Exam score

YOU WILL BE ELIGIBLE FOR A CERTIFICATE ONLY IF AVERAGE ASSIGNMENT SCORE >=10/25 AND EXAM SCORE >= 30/75. If one of the 2 criteria is not met, you will not get the certificate even if the Final score >= 40/100.

Certificate will have your name, photograph and the score in the final exam with the breakup.It will have the logos of NPTEL and IIT Madras .It will be e-verifiable at nptel.ac.in/noc.

Only the e-certificate will be made available. Hard copies will not be dispatched.

Once again, thanks for your interest in our online courses and certification. Happy learning.

- NPTEL team

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