Certificate in Computational Drug Design

Course description

Computational drug design brings together pharmaceutical sciences, chemistry, biology and computational methods to support the discovery and optimisation of potential drug candidates. By examining molecular structures, biological targets and drug–target interactions, researchers can prioritise compounds for experimental evaluation and make informed decisions during drug discovery and development. The Certificate in Computational Drug Design offered by IGMPI is designed to develop a systematic understanding of computer-aided drug design (CADD), from identifying therapeutic targets and accessing molecular databases to performing virtual screening and evaluating potential lead compounds. The programme covers structure-based and ligand-based drug design, molecular docking, pharmacophore modelling, quantitative structure–activity relationships (QSAR), molecular dynamics simulations, and computational prediction of absorption, distribution, metabolism, excretion and toxicity (ADMET).

The programme combines conceptual learning with practical demonstrations, interpretation of computational results and industry-oriented case studies. Participants will explore how artificial intelligence and machine learning support drug discovery, alongside the role of pharmacokinetic modelling in connecting molecular properties with anticipated drug behaviour. Emphasis is placed on selecting appropriate methods, understanding their limitations and integrating computational predictions with experimental evidence. 

Target audience

The programme is suitable for:

• Students and graduates in pharmacy, pharmaceutical sciences, medicinal chemistry, chemistry, biotechnology, biochemistry, bioinformatics and related life sciences.
• Postgraduate students and research scholars seeking to apply computational methods to drug discovery research.
• Professionals working in pharmaceutical and biotechnology research, medicinal chemistry, discovery biology and preclinical development.
• Scientists and research associates involved in compound screening, lead optimisation, molecular modelling and drug repurposing.

A foundational understanding of chemistry and biology is desirable. Introductory computational concepts will be addressed to support participants from diverse academic backgrounds.

Key Highlights:

• Live Interactive Sessions with Industry Experts
• Case Study-Based Learning and Practical Drug Discovery Scenarios
• Hands on Practical Demonstrations
• Digital Computational Drug Design Toolkit (molecular datasets, workflow guides, software resources and project report templates)

Programme structure

Module 1: Foundations of Computational Drug Discovery

Module 2: Cheminformatics, Molecular Data Curation and Structure Preparation

Module 3: Structure-Based Drug Design, Molecular Docking and Virtual Screening

Module 4: Ligand-Based Drug Design, Pharmacophore Modelling and QSAR

Module 5: Molecular Dynamics and Binding Free-Energy Methods

Module 6: In Silico ADMET, Pharmacokinetic Modelling

Module 7: Machine Learning and Generative AI for Molecular Design

Module 8: Integrated projects and Industry-Based Case Studies

Eligibility

Graduates in any discipline are eligible for our Post Graduate Diploma, Executive Diploma and Professional Certifications Programmes. 10+2 pass-outs are eligible for our Under Graduate Diploma and Diploma holders of two to three years course duration are also eligible for the PG Diploma.

Programme Duration

The duration of the training is 5 days

Programme Mode

Registration is currently open for Part-time (Online Live Classes) mode.

Programme Deliverables

The accompanying training is appropriately aligned with the current Industry’s expectations.

• Interactive or online live sessions on all key areas of the programme giving all flexibility to the participants.
• All the efforts are made by IGMPI faculty members to make the entire programme modules easily understandable.
• Assessment and evaluation for all the programme modules in order to enhance the levels of competencies and skills of the participants leading towards the objective of application in the job.
• At the end of each programme modules, the trainers shall obtain feedback from the participants using specially designed questionnaires.
• All learning and training delivery initiatives shall be conducted in English. 

Assessment & Certification

All the participants are expected to appear for online assessment. After successfully qualifying the examination, the participants will be awarded Certificate in Computational Drug Design by IGMPI.

Discipline in Classes and Examination

Every student is required to observe a disciplined behaviour during her/his classes, assessments & examinations and to follow instructions from the Professors. Any act of indiscipline may result into discredit & it will be mentioned in her/his academic report.

Placement Assistance & Corporate Relations

For the Post Graduate Diploma, Undergraduate Diploma, Executive Diploma and Professional Certification Programmes, we will provide placement assistance after the completion of the programme. The Institute has partnered with many organizations for providing placement assistance to its students. The robust placement cell comprises senior level Human Resources professionals and Talent Acquisition experts which maintains close links with business and industry. The efforts of our placement cell also include helping with professional resume writing, interview skills & conducting mock interviews etc.

In recent months the Institute has witnessed more and more participation from professionals working with global healthcare like , Jhpiego, SELCO Foundation, TATA Foundation, Samarthan NGO, PSI, UNICEF, WHO, HCL Foundation, IPE Global, Optum, PATH, AIIMS, Action against Hunger, Ekta Shakti Foundation, Seva Foundation, India HIV-AIDS Alliance, HLFPPT, Deepak Foundation, Novartis, LalPath Labs Ltd., Fortis Healthcare Ltd., HealthCare Global Enterprises Ltd., Indraprastha Medical Corporation Ltd., Narayana Hrudayalaya Ltd., Piramal Enterprises Ltd., Wockhardt Ltd., Cactus Communications, Public Health Foundations of India, Cytel, Religare Health Insurance Company Ltd., Deloitte, DuPont Sustainable Solutions, Bain & Company, Alvarez & Marsal, McKinsey & Company, etc. The IGMPI’s Corporate Resource Division actively recommends our students and training participants for various job requirements and specialized roles to Human Resource, Talent Acquisition as well as the heads of various departments in Pharmaceutical, Healthcare industries on regular basis.

Future Prospects

Computational drug design offers opportunities at the intersection of pharmaceutical sciences, bioinformatics and data-driven research. Knowledge gained through this programme can support participants in pursuing research and professional opportunities in pharmaceutical companies, biotechnology organisations, contract research organisations (CROs), academic institutions and drug discovery start-ups.

Depending on their academic qualifications and practical experience, participants may explore roles such as Computational Drug Discovery Research Associate, CADD or Molecular Modelling Associate, Cheminformatics or QSAR Research Associate working with chemical datasets, molecular descriptors and predictive models, Drug Discovery Project Associate integrating computational findings with medicinal chemistry and biological screening activities and ADMET Modelling Research Associate supporting computational assessment of pharmacokinetic properties and potential toxicity.

The programme also provides a foundation for postgraduate research, doctoral studies and further specialisation in computational chemistry, molecular simulations, cheminformatics and artificial intelligence in drug discovery. Through the integrated project, participants can develop a practical portfolio demonstrating their ability to design a computational workflow, interpret results critically and propose experimental follow-up. Career progression will depend on relevant qualifications, research experience and continued development of computational and programming skills.

View Prospectus

Apply Online

Last date for submitting completed Application Form: 12^th Oct 2026.

For further enquiries, call or write to us on:
18001031071 (Toll Free -9:00 am to 5:30 pm IST-except on Central Government holidays)/ info@igmpi.ac.in