3 DAY WORKSHOP

SYSTEMATIC STUDY OF DRUG TARGETS AND MOLECULAR INTERACTIONS | VIRTUAL SCREENING, MOLECULAR DOCKING & ADMET

INTRODUCTION

The simple answer to what's holding the industry back in terms of adoption of latest drug discovery techniques is Education. There simply aren't enough individuals trained on the use of Proteomics, Virtual Screening, Molecular Docking, Simulations, Dynamics and ADMET- multidisciplinary approaches, which is why we continue to offer courses, for both novice and experienced users, on the use of this technology as it applies to their research functions.

Structure-based drug design seeks to identify and optimize specific attractive interactions between two partner molecules in biological systems between ligands and their host molecules, typically proteins. The use of computers accelerates the process of drug design, which is a time-intensive process, and also reduces the cost of the whole process.

This 3-day training course will focus on the use of efficient technologies used in the discovery & designing of Drugs on the basis of the biological targets critical to the disease condition. During this course, you will be introduced to basic principles of Rational Drug Design along with Proteomics in Drug Discovery. The course includes hands-on exercises in the Structure-based drug design approach.

TOPICS

• • Introduction of Drug Designing
• • Science involved in disease target identification
• • Virtual screening

Practical application will be done on 5-10 molecules and the software on which DEMONSTRATION & TRAINING will be given

• • In-silico generation of ligands by ChemSketch
• • Conversion of Mol files to Pdb files by Open Babel
• • Protein optimization & Energy Minimization by SPDBV
• • Molecular Docking by MGL Tools | Creation of Grid Parameter & Dock Parameter files by AutoDock Software
• • Running the Docking Algorithm by Cygwin
• • Selection of potent inhibitors on the basis of binding energies(delta G) and Lipinski's Rule of 5
• • Creating docking complex
• • Structure Analysis- Protein & ligand complex & H-bond interaction by UCSF Chimera
• • Prediction of Molecular Properties- Molinspiration
• • Prediction of Bioactivity- Molinspiration & ACD iLabs
• • Drug Likeness- Mol Soft
• • Bioavailability, ADME & Toxicity- ACD iLabs

Workshop Group Registration discount:

• · Group of 2-3 People 10%
• · Group of 4-5 People 15%
• · Group of 6 and more 20% 

 Early registration ends on 26th May: 10% discount

OUTCOME

Participants will

• - Be able to understand the science behind the disease condition
• - Learn how to identify the biological target critical to the disease
• - Learn Molecular Editing
• - Learn docking molecules computationally.
• - Learn how to create docking complex and visualize the 3D structure, which is difficult to envision in any other way.
• - Learn about the intricate atomic-scale properties critical for Drug Design.
• - Learn about the standard parameters of Structure-based Drug Design.

TARGET AUDIENCE

With basic knowledge in Life Science and Drug Design that would like to receive a comprehensive overview or refresher on the Drug Discovery Technology the target audience comprises:

Student: Bachelor, Masters, Ph.D., students as well as Faculty and Professors from Microbiology, Biochemistry, Biotechnology, Immunology, Pharmacy, Pharmaceutical Chemistry, Biomedical Technology, Genetics, Bioinformatics, Plant Science and Life Sciences.

Professionals: Biotechnology, Bioinformatics and Pharmaceutical scientists from industry, academia, and regulatory agencies.

Hands-on exercises will be performed individually using software tools (no prior experience required).

COMPLIMENTARY

Workshop Material

Lunch & Refreshment

Certificate

RESEARCH PROJECT WITH INTERNATIONAL PUBLICATION

BioDiscovery Group LifeSciences, India is the first to launch online training in Drug Discovery Technology for Foreign & Indian participants and doing it since 2010. With record publications of more than 45 research projects at International level. You can do research project from any city & any country and can learn the newest technology of Drug Discovery & Designing from your home as training sessions are conducted online. Candidates from different countries have already worked and finished training followed by practical application in the form of a research project.

DURATION: 2, 4, 7 months

1- BioDiscovery Group, India will conduct training of 2 phases of research project who register for Online Research Projects along with Workshop or Register only for Research Projects. This will include an introduction of a project along with virtual screening as well as training on the software for 2 phases.

2- The work will be assigned to the participants and they will do the work in given time.

3- Once they finish BioDiscovery Group, India will conduct online training on SKYPE/GOOGLE HANGOUT for these participants for the remaining 3 phases.

Please read following points carefully:

• - You should have Skype/Google account as training sessions are conducted online on Skype/Google Hangout.
• - The training sessions will be conducted from 10 AM – 1 AM (India time- IST) and you can choose any time in between these 15 hours duration.
• - Once you register, we will send you an email with link of all the software, which will be used in the project. You have to download and install them according to the instructions in email.
• - Before the start of training, files for each phase, tutorials & papers will be sent to you. So that you go through them and get an idea of what will be done in the coming phase.
• - For the remaining 3 phases, we will ask you for the date and time when you want the training session. According to that, we will conduct the training session & training will be given to you about everything that comes in that phase.
• - After training work will be assigned to you for that phase and you will be given some time to complete that work, i.e. for practical application in the form of research project work.
• - When you complete this phase, training will be given to you for the next phase and work will be assigned. Again we will give you time to do the work.
• - A trainer will be assigned to you and if you encounter any problem then you have to intimate us as early as possible.
• - You have to send 24 hour project report directly to our CEO, this is to monitor and supervise the project.

THE RESEARCH PROJECT WILL BE DONE IN 5 PHASES

Phase 1

• In-silico generation of ligands- ChemSketch

• Conversion of files- .mol to .pdb- Open Babel

Phase 2

• Protein Optimization- SPDBV

• Energy Minimization- SPDBV

Phase 3

• Molecular Docking- Creation of gpf & dpf files- MGL Tools

Phase 4

• Docking algorithm- Cygwin

Phase 5

• Selection of inhibitors- on the basis of estimated free energy (RMSD & ΔG) and Lipinski's rule of 5

• Structure Analysis/ H-Bond/Atomic level studies- UCSF Chimera

• ADME- Online Server

• Toxicity- Online Server

• Drug Likeness- Online Server

What we give to our candidates:

• Software
• Papers & Tutorials of technology
• International Publication-, which strengthens their profile.
• Career counseling- Where to apply, how to apply and when to apply for Ph. D Admissions and good employment- Showing them the right path.
• Certificates- Training and Research project

What are the benefits of this Research Project Training Program? Candidate gets-

• Training in Molecular modeling/Drug Designing.
• Software, which you can use for other projects.
• Tutorial and Papers of technology. So to make you understand every aspect of the technology.
• Opportunity to work on a novel research project. Practical application of training.
• Publication of the project by their name at International Level in the form of Paper/ Oral/ Poster/ Abstract.
• Certificates of Training & Research Project.
• Guidance for employment as well as higher studies (Document preparation like Cover Letter, CV, Personal/Power Statement, etc.).

RESEARCH PROJECTS AREAS

• CANCER
• TUBERCULOSIS
• HIV
• NEGLECTED DISEASES
• VACCINE DESIGN

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