# Development of the AI-driven model for anti-SUD drug development based on neuronal plasticity

> **NIH NIH R43** · VERISIM LIFE, INC. · 2022 · $312,310

## Abstract

PROJECT SUMMARY
Rates of stimulant use, both illicit (e.g. methamphetamine and cocaine) and prescription (e.g.
Adderall) are surging on the heels of the opioid epidemic, worsened by the isolation associated
with the COVID-19 pandemic. Unlike opioid use disorder, there are currently no FDA-approved
medications for the treatment of stimulant use disorder (StUD), leaving only abstinence support
and behavioral modification therapies. These are costly treatments with poor efficacy, as
evidenced by the high rate of relapse (60-90%). Stimulant use disorder is clearly an unmet need.
VeriSIM Life is an innovative company developing and utilizing artificial intelligence (AI) and
machine learning (ML) technologies for faster drug discovery and development. Our patented
BIOiSIM platform enables prediction of small molecule pharmacokinetics and pharmacodynamics
via an AI/ML-parameterized whole-body physiologically based modelling. It is designed to
accurately predict the clinical value of investigational drugs before human trials. The full-stack AI-
enabled bio-simulation models significantly reduce the number of animal tests required for
advancing therapeutics through the pipeline, accelerating drug development and markedly
increasing return on investment. The primary goal of this SBIR application is to develop, validate
and utilize a reliable and accurate AI-driven tool incorporated with the core BIOiSIM platform to
accelerate discovery and development of pharmaceuticals intended for the mitigation of StUD.
The current Phase I proposal will begin to address this goal through two complementary
approaches. Development of the AI-driven pharmacokinetic modeling specific to CNS drug
distribution with the following screening of virtual compound libraries will be performed in Aim 1.
This will be supported by proof-of-concept validation of a subset of compounds with in vivo
pharmacokinetics. Aim 2 will focus on development of pharmacodynamics prediction modeling
for stimulant use disorder drug discovery and development. The focus will be on potential
therapeutic targets that modulate neuronal plasticity, identified through an in-depth analysis of the
preclinical and clinical literature. This will be supported by proof-of-concept validation of a subset
of compounds with preclinical intravenous self-administration studies using cocaine and
methamphetamine. The proposed AI/ML-driven approach is expected to markedly accelerate the
development process for new stimulant use disorder medications by directing efforts to
compounds with optimal ADME and pharmacodynamic properties. Such an approach will create
an avenue for fast-track development of affordable and efficacious therapeutics for StUD among
other indications.

## Key facts

- **NIH application ID:** 10467528
- **Project number:** 1R43DA056084-01
- **Recipient organization:** VERISIM LIFE, INC.
- **Principal Investigator:** Courtney A Miller
- **Activity code:** R43 (R01, R21, SBIR, etc.)
- **Funding institute:** NIH
- **Fiscal year:** 2022
- **Award amount:** $312,310
- **Award type:** 1
- **Project period:** 2022-04-01 → 2023-09-30

## Primary source

NIH RePORTER: https://reporter.nih.gov/project-details/10467528

## Citation

> US National Institutes of Health, RePORTER application 10467528, Development of the AI-driven model for anti-SUD drug development based on neuronal plasticity (1R43DA056084-01). Retrieved via AI Analytics 2026-05-31 from https://api.ai-analytics.org/grant/nih/10467528. Licensed CC0.

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