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Acquire proficiency in virtual screening to expedite the identification of potential enzyme inhibitors.
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.
Get to know the Project Leader and other students, ask questions about the project requirements, prepare your workspace.
Learn basics of enzyme inhibition, examine case studies of successful inhibitors.
Navigate public databases, select specific enzyme targets and ligands.
Perform virtual screening experiments using docking software.
Analyze docking results, evaluate inhibitor properties, select promising drug candidates, learn about designing potential inhibitors.
Predict pharmacokinetic properties and toxicity of potential inhibitors using online tools.
Formulate final project proposals, execute final project and analyze results, prepare final project presentation, discuss any issues as a part of Q&A session.
Polish your project deliverables and present them to the Project Leader and other students in the final group session.
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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.