Computer Aided Drug Design


Prof. Mukesh Doble

IIT Madras

*Additional GST and optional Exam fee are applicable.

SKU: IIT Madras Category:



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



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.


Additional information


IIT Madras

Total hours


Certification Process

1. Join the course
Learners may pay the applicable fees and enrol to a course on offer in the portal and get access to all of its contents including assignments. Validity of enrolment, which includes access to the videos and other learning material and attempting the assignments, will be mentioned on the course. Learner has to complete the assignments and get the minimum required marks to be eligible for the certification exam within this period.

COURSE ENROLMENT FEE: The Fee for Enrolment is Rs. 2000 + GST

2. Watch Videos+Submit Assignments
After enrolling, learners can watch lectures and learn and follow it up with attempting/answering the assignments given.

3. Get qualified to register for exams
A learner can earn a certificate in the self paced course only by appearing for the online remote proctored exam and to register for this, the learner should get minimum required marks in the assignments as given below:

Assignment score = Score more than 50% in at least 6/8 assignments.
Exam score = 50% of the proctored certification exam score out of 100
Only the e-certificate will be made available. Hard copies will not be dispatched.”

4. Register for exams
The certification exam is conducted online with remote proctoring. Once a learner has become eligible to register for the certification exam, they can choose a slot convenient to them from what is available and pay the exam fee. Schedule of available slot dates/timings for these remote-proctored online examinations will be published and made available to the learners.

EXAM FEE: The remote proctoring exam is optional for a fee of Rs.1500 + GST. An additional fee of Rs.1500 will apply for a non-standard time slot.

5. Results and Certification
After the exam, based on the certification criteria of the course, results will be declared and learners will be notified of the same. A link to download the e-certificate will be shared with learners who pass the certification exam.


Course Details

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


  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


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