Ten-Days Online Training Workshop

ON

Computational Drug Designing has become the go-to requirement for the researchers, scientists and the pharmaceuticals who fight against the fatal disease. Allowing the research for the drug discovery, designing and the development to be done at an exponential speed as compared to the traditional drug development approaches.

Workshop Content Oultine

What you'll learn

Content Outline

Module I

  1. Introduction /history/coverage
  2. Application in drug design
  3. Steps involved in computer aided drug/Vaccine design
  4. Various virtual screening studies (Ligand based drug design/Structure based drug design)
  5. Importance of Molecular docking in drug design


Bioinformatics: Role in Drug Design

Madhana Priya (M.Phil), Oluwasegun (M.Sc.)

Content Outline

Module IV

  1. Introduction and Reasoning
  2. Types of 3D Structure Prediction
  3. Most cited 3D Structure Prediction Tools
  4. Homology Modeling - Find the Relatives
  5. Threading - String Them Together
  6. Ab inito - The Guessing Game
  7. Model Visualization
  8. Model Evaluation & Comparative Analysis of the Results
  9. Conclusions
  10. Leading Path

Protein 3D Structure Prediction

Waqar Hanif (BS Hons)

Content Outline

Module VII

  1. Steps involved
  2. Derive results from PyMol
  3. Steps involved
  4. Result analysis
  5. Steps involved
  6. Derive results from PyRx
  7. Steps involved
  8. Result analysis

PyMol and PyRx

Omoniyi Akinyemi (M.Sc.)

Content Outline

Module X

  1. Introduction
  2. Steps involved
  3. Results analysis

Drug Repurposing

Shahzeb Khan

Content Outline

Module II

  1. Literature review
  2. Various Databases for Lead Identification
  3. Identification of Target disease and enzyme
  4. Various protein data banks
  5. Steps involved

Lead Identification

Davis Oluwasegun (M.Sc.)

Content Outline

Module V

a. Introduction

b. Various Docking Methodologies

c. Algorithms and scoring functions

d. Various docking websites (Free software’s/Commercial software’s)

e. Applications necessary for docking

f. Setup of docking software

Molecular Docking: A Powerful Tool for Structure Based Drug Design

Madhana Priya (M.Phil.)

Content Outline

Module VIII

  1. Steps involved
  2. Result analysis

Discovery Studio+

Oladimeji Olalekan (M.Sc.)

Content Outline

Module XI

Project/Exams

Project/Exams

All Facilitators

Content Outline

Module III

  1. Drug Likeness/A/DMET properties/Lipinski’s rule of five
  2. Various websites/software’s of A/dmet Properties
  3. Steps involved
  4. Predicting ADMET properties
  5. Result interpretation

ADMET Properties

Professor Susila Krishnamoorthy

Content Outline

Module VI

  1. Steps involved in molecular docking (Energy optimization, downloads     from the databases, preparation etc.)
  2. Binding interactions, screening and their evaluation
  3. Observations & Result analysis
  4. Molecular dynamics

Molecular Docking Using Autodock 4.2

Madhana Priya (M.Phil.), Professor Susila Krishnamoorthy

Content Outline

Module IX

  1. Introduction to Vaccinology
  2. Differences between Conventional & Computational Vaccinology
  3. Steps involved & Tools used
  4. Result Analysis

Reverse (Computational) Vaccinology & Immunoinformatics

Monika Moitra (M.Sc.), Shahzeb Khan

Content Outline

Module XII

Group project + Publication + Feedback form

Group Project + Publication + Feedback Form

All Facilitators

Each module has its own assignment

Coronavirus disease 2019 or COVID-19 is an infectious disease that is caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). The COVID-19 outbreak has proven to become a deadly disease and has been declared a pandemic by World Health Organization. 

Bioinformatics: Computational Drug Discovery and Design

Keeping the demand of the scientific community in-check and the free time most of the community has these days due to COVID-19. BioCode (in partners with BioAfri) is presenting an opportunity to learn Computational Drug Discovery and Design through an online workshop.

All the modules are carefully crafted so you learn from the basics of the Bioinformatics: Computational Drug Discovery and Design to the advanced level. Efficient demonstrations of the tools, methodologies, algorithms and software suites that are utilized within Computational Drug Designing will help you learn how to start the Computational Drug Designing projects, identify leads, do Molecular Docking, predict and analyze the ADMET properties, predict 3D structures of proteins and much more.