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Artificial intelligence-integrated mechanistic modeling for rational design of nanoparticles to improve organ targeting and safety

Award Number: R01EB035545
ORGANIZATION: NATIONAL INSTITUTE Of BIOMEDICAL IMAGING & BIOENGINEERING
OPDIV: NIH
AWARD CLASS: DISCRETIONARY
AWARD ACTIVITY TYPE: SCIENTIFIC/HEALTH RESEARCH (INCLUDES SURVEYS)
PERIOD OF PERFORMANCE START DATE: 09/09/2024
PERIOD OF PERFORMANCE END DATE: 09/02/2025

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Artificial intelligence-integrated mechanistic modeling for rational design of nanoparticles to improve organ targeting and safety - PROJECT SUMMARY. Nanoparticles (NPs) hold great promise as targeted drug delivery systems but tailoring their pharmacokinetics (PK) to specifically target regions of interest remains a challenge. This limits the clinical translation of NPs due to poor efficacy and safety concerns associated with off-target accumulation of NP-based formulations. Due to the interactions of NPs with biological components, driven by their structural properties, customizing the pharmacokinetics (PK) of NPs requires a quantitative understanding of the effect of NP structural properties on their whole-body biodistribution, which in turn also governs their safety profile. Therefore, to enable rational design of NPs to achieve organ targeting and safety, we propose to leverage artificial intelligence to develop a toxicology-integrated physiologically-based pharmacokinetic model (PBPK-Tox) capable of accurately predicting the whole-body exposure and safety of novel nanomaterials, based solely on their structural properties, dose, and route of administration. For this, we will (1) develop the PBPK-Tox model based on diverse datasets from literature, (2) establish the quantitative relationship between NP properties, exposure, and toxicity, and (3) experimentally test the model predictions of rational design to target one or more organs. Our proposed modeling framework will enable efficient preclinical development of novel nanomaterials (and accelerate their clinical translation) by providing rational design guidelines through in-depth computational investigation of biological and physicochemical variability on biodistribution and safety of NPs.


Issue Date FY	Funding FY	Legal Entity Name	Legal Entity Address	Legal Entity City	Legal Entity State	Legal Entity Zip Code	Legal Entity COUNTY	Legal Entity COUNTRY	Assistance Listing	Award Code	Budget Year	Action Date	Action Type	Action Amount

Issue Date FY: 2026 ( Subtotal = $0 )
2026	2025	THE METHODIST HOSPITAL RESEARCH INSTITUTE	6565 FANNIN ST STE D200	HOUSTON	TX	77030	HARRIS	USA	Discovery and Applied Research for Technological Innovations to Improve Human Health	002	2	3/2/2026	NON-COMPETING CONTINUATION	$0
2026	2025	METHODIST HOSPITAL, THE	6670 BERTNER AVE	HOUSTON	TX	77030	HARRIS	USA	Discovery and Applied Research for Technological Innovations to Improve Human Health	000	2	12/5/2025	NON-COMPETING CONTINUATION	-$418,254
2026	2025	UNIVERSITY OF SOUTHERN CALIFORNIA	3720 S FLOWER ST FL 3	LOS ANGELES	CA	90033	LOS ANGELES	USA	Discovery and Applied Research for Technological Innovations to Improve Human Health	001	3	12/8/2025	CHANGE OF GRANTEE / TRAINING INSTITUTION / AWARDING INSTITUTION	$418,254
														Subtotal = $0

Issue Date FY: 2025 ( Subtotal = $418,254 )
2025	2025	METHODIST HOSPITAL, THE	6670 BERTNER AVE	HOUSTON	TX	77030	HARRIS	USA	Discovery and Applied Research for Technological Innovations to Improve Human Health	000	2	8/13/2025	NON-COMPETING CONTINUATION	$418,254
														Subtotal = $418,254

Issue Date FY: 2024 ( Subtotal = $391,588 )
2024	2024	METHODIST HOSPITAL, THE	6670 BERTNER AVE	HOUSTON	TX	77030	HARRIS	USA	Discovery and Applied Research for Technological Innovations to Improve Human Health	000	1	9/9/2024	NEW	$391,588
														Subtotal = $391,588

Grand Total All Awards = $809,842

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Artificial intelligence-integrated mechanistic modeling for rational design of nanoparticles to improve organ targeting and safety

Award Number: R01EB035545

ORGANIZATION: NATIONAL INSTITUTE Of BIOMEDICAL IMAGING & BIOENGINEERING

OPDIV: NIH

AWARD CLASS: DISCRETIONARY

AWARD ACTIVITY TYPE: SCIENTIFIC/HEALTH RESEARCH (INCLUDES SURVEYS)

PERIOD OF PERFORMANCE START DATE: 09/09/2024

PERIOD OF PERFORMANCE END DATE: 09/02/2025

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