# Core D: Drug Discovery

> **NIH NIH P01** · UNIV OF ARKANSAS FOR MED SCIS · 2020 · $311,818

## Abstract

SUMMARY – CORE D
The Drug Discovery Core will be a resource providing support for individual investigators in Projects 1-3
through a state-of-the-art, rational-design drug discovery program for early preclinical design of putative
antiinflammatory and anti-aggregation agents. The Core already catalogs almost 2500 compounds in two
libraries, and another library is under construction. After an initial round of screening in biological assays
(Projects 1 and 3), the Core will use the resulting data in previously developed “training” algorithms (nonlinear
QSAR based) for in silico molding of the key structural elements that will not be, at this point, biased toward
any known identity or structure. In parallel, the Core will use its extant computational tools to design
compounds with structural elements known or predicted to act as pharmacoperones or IL-1 receptor
antagonists. ADMET information will be applied as a filter to rationally select compounds with druglike
attributes (e.g., gut absorption, plasma stability, and blood-brain barrier permeability). The Core will also be
responsible for synthesizing sufficient quantities (scaling-up) of the most promising second-generation
compounds for further evaluation in cell-culture and in vivo experiments. All the Projects are expected to utilize
Core D facilities for the evaluation of novel molecular entities as therapeutic agents having the ability to interact
with the potential therapeutic priorties of each arm of the inflammation, proteinopathy, insulin-resistance triad.

## Key facts

- **NIH application ID:** 9964632
- **Project number:** 5P01AG012411-21
- **Recipient organization:** UNIV OF ARKANSAS FOR MED SCIS
- **Principal Investigator:** Peter Anthony Crooks
- **Activity code:** P01 (R01, R21, SBIR, etc.)
- **Funding institute:** NIH
- **Fiscal year:** 2020
- **Award amount:** $311,818
- **Award type:** 5
- **Project period:** 1997-08-01 → 2023-05-31

## Primary source

NIH RePORTER: https://reporter.nih.gov/project-details/9964632

## Citation

> US National Institutes of Health, RePORTER application 9964632, Core D: Drug Discovery (5P01AG012411-21). Retrieved via AI Analytics 2026-05-23 from https://api.ai-analytics.org/grant/nih/9964632. Licensed CC0.

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