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Virtual Screening for Enzyme Inhibitors in Drug Design
Rohan Kumbhare
Rohan Kumbhare
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Virtual Screening for Enzyme Inhibitors in Drug Design

Acquire proficiency in virtual screening to expedite the identification of potential enzyme inhibitors.

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Apply now
Mondays
 at
2:00
P.M.
 ET /
11:00
A.M.
PT
8 weeks, 2-3 hours per week
Intermediate
No experience required
No experience required
Some experience required
Degree and experience required

Description

In this project, students will tackle the exciting challenge of virtual enzyme inhibitor screening for drug discovery. Their task is to navigate through vast public databases, select a target enzyme, and design potential inhibitors using computational tools. Through hands-on virtual experiments, students will analyze docking results, predict ADMET properties, and ultimately identify promising drug candidates. By mastering these skills, students will be well-equipped for entry-level roles in the pharmaceutical industry, where the ability to leverage computational tools for drug discovery is highly valued and in demand today.

Session timeline

  • Applications open
    March 11, 2024
  • Application deadline
    April 7, 2024
  • Project start date
    Week of July 8, 2024
    Week of
    April 29, 2024
  • Project end date
    Week of

What you will learn

  • Understand the principles of enzyme inhibition in drug discovery and its significance.
  • Gain proficiency in molecular docking techniques and virtual screening for selecting potential inhibitors.
  • Apply acquired knowledge and skills to formulate a final project proposal, execute virtual screening experiments, and prepare a comprehensive final project presentation.
Build Projects are 8-week experiences that operate on a rolling basis. Selected participants engage in weekly live workshops with a Build Fellow and 2-15 other students.

Project workshops

1
Get to Know the Project and Prepare Workspace
2
Introduction to Enzyme Inhibition
3
Selection of Target Enzyme and Ligands
4
Molecular Docking and Virtual Screening
5
Data Analysis and Inhibitor
6
ADMET and Toxicity Prediction
7
Final Project Preparation
8
Final Project Execution and Presentation

Prerequisites

  • Basic understanding of biochemistry and molecular biology concepts, including enzyme structure and function, protein-ligand interactions, and drug discovery principles.
  • Proficiency in using computer software and online tools for scientific research, such as data analysis programs and molecular modeling software.
  • Analytical skills to interpret complex biochemical data and make informed decisions during virtual screening experiments.
  • Effective communication skills to articulate findings and collaborate with peers in discussing project outcomes and proposing potential drug targets.  

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About the expert
Rohan Kumbhare
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Rohan
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Rohan Kumbhare is a Biochemistry Fellow at Open Avenues Foundation, where he works with students leading projects in Biochemistry and Chemistry.

Rohan Kumbhare is a Scientist II at Prime Medicine where he works on mRNA and oligonucleotide chemistry.

Rohan Kumbhare has 3 years of experience in small molecule chemistry, peptide nucleic acids and oligonucleotide chemistry. He has a prior experience in Medicinal Chemistry and Chemical Biology with a focus on small molecule chemistry, peptide nucleic acids and oligonucleotide chemistry.

He holds a Ph.D. degree in Chemistry.

A fun fact about Rohan: My birthday is on 10/10, my dad’s birthday is on 10/11 and my mom’s birthday is on 11/12.