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Re-engineering Lilly’s KisunlaTM into a novel antibody targeting IL13RA2 against GBM using AI-driven macromolecular modeling
Atrium Health Levine Cancer
  • Summary and objectives of the proposed experiments: 
  1. An initial research-based Ab (scFv47, discovered by our collaborator Dr. Balyasnikova) model, modeling Ab-Ag (IL13RA2 against GBM) protein complex, and identifying the binding sites (epitopes) using ROSETTA and AlphaFold2 multimer tools.
  2. Graft the CDRs of scFv (single-chain variable fragment) of antibody or Bispecific T cell engagers (BTEs) onto the template Ab, the framework of Lilly's Kisunla™ Ab drug.
  3. Modify, improve, and optimize the overall or full antibody protein structures using AI-driven macromolecule modeling (AlphaFold3).
  4. Explore single nucleotide polymorphism (SNP), pathogenic genetic variants and N-glycosylation of IL13RA2 (target) protein domain interacting with the Ab candidates among the patient population using ROSETTA software packages.
Status: In Progress

People with Expertise

Aniruddha Maiti

West Virginia State University

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ACCESS CSSN, Campus Champions

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mentor, researcher/educator, cssn

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Gulustan Dogan

University of North Carolina, Wilmington

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ACCESS CSSN, CCMNet

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cssn, CIP, CCMNet

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James Afful

Iowa State University

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ACCESS CSSN

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cssn, CIP

profile picture of James Afful-Iowa State University- Computational Fluid Mechanics

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People with Interest

Vikram Gazula

University of Kentucky

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ACCESS CSSN, CCMNet, Campus Champions, Kentucky, OnDemand

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mentor, regional facilitator, research computing facilitator, Affinity Group Leader, KB PM, CCMNet PM, CCMNet

Vikram

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Jeho Park

Claremont McKenna College

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CCMNet, Campus Champions

Roles

research computing facilitator, CCMNet

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Widodo Samyono

Jarvis Christian College

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Campus Champions, CCMNet

Roles

researcher/educator, research computing facilitator, CCMNet

Widodo Samyono, PhD in Computational and Applied Mathematics

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