# Idaho INBRE Program- Computer-aided drug development coupled with allergic response biology to identify novel therapeutics

> **NIH NIH P20** · UNIVERSITY OF IDAHO · 2023 · $190,515

## Abstract

Project Summary
This Administrative Supplement to the University of Idaho INBRE Program establishes an INBRE-COBRE
research collaboration. The INBRE-Developmental Research Program Investigator, D. Xu, and COBRE-project
investigator, B. Morrison, will combine their talents and expertise on a project titled, Computer-aided drug
development coupled with allergic response biology to identify novel therapeutics. The project brings together
Xu’s computational biochemistry expertise in computer-aided drug development and Morrison’s cell and
molecular biology expertise in cell culture and immunology to investigate allergic hyperresponsiveness
therapeutics. The partnership will enhance the quality of scientific work for both investigators and increase
research opportunities for undergraduate and graduate students. Allergic hyperresponsiveness is a common
and debilitating health issue that results in a reduced quality of life and increased mortality. Prime examples
include asthma, affecting ~26 million people in the U.S. and atopic dermatitis, affecting >18 million people in
the U.S. The investigators are focusing their efforts on IL-13RA1, a key receptor in allergic responses for which
there is no efficacious drug to block the negative effects of receptor binding. Strong preliminary data supports
the project. Using two INBRE Data Science Core facilities, a high-power in silico screen of NIH compound
libraries coupled with cell culture validation they found 40 potential drug candidates that inhibit the IL-
13RA1/IL-4R complex. Among these candidates they identified a ‘lead’ compound, nicotinamide hypoxanthine
dinucleotide, referred to as Drug 4. Their goals will be to, first, expand the ‘hit-to-lead’ search using 2D
molecular fingerprint and 3D pharmacophore to screen ~1 million compounds against Drug 4. Identified
compounds will be optimized using 3D visualization driven ligand design, free energy-based quantitative
structure-activity relationship (QSAR), and computational absorption, disposition, metabolism, excretion and
toxicity (ADMET) analyses. Second, Drug 4 specificity for human IL-13RA1/IL-4R signaling will be determined
in cell culture. Receptor signaling will be tested using a lentiviral shRNA knockdown approach in human A549
lung carcinoma cells. If disrupted, inhibition of ligand binding will be confirmed in the mouse cell line 3T3-L1
that expresses and responds to both IL-13 and IL-4. This strategy will be applied for all drug candidates
identified. The Xu-Morrison collaboration has strong institutional support and will use lDeA-built research core
laboratories. Two INBRE-initiated research cores will be used in this project, the Biomolecular Research
Center at Boise State University and the Molecular Research Core Facility at Idaho State University.

## Key facts

- **NIH application ID:** 10766460
- **Project number:** 3P20GM103408-23S1
- **Recipient organization:** UNIVERSITY OF IDAHO
- **Principal Investigator:** Carolyn Hovde Bohach
- **Activity code:** P20 (R01, R21, SBIR, etc.)
- **Funding institute:** NIH
- **Fiscal year:** 2023
- **Award amount:** $190,515
- **Award type:** 3
- **Project period:** 2001-09-30 → 2025-04-30

## Primary source

NIH RePORTER: https://reporter.nih.gov/project-details/10766460

## Citation

> US National Institutes of Health, RePORTER application 10766460, Idaho INBRE Program- Computer-aided drug development coupled with allergic response biology to identify novel therapeutics (3P20GM103408-23S1). Retrieved via AI Analytics 2026-06-11 from https://api.ai-analytics.org/grant/nih/10766460. Licensed CC0.

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