Evidence map›Paper›PMID 38097573›Full record

ArticleNature communications2023

Fragment-based drug nanoaggregation reveals drivers of self-assembly.

Chen Chen, You Wu, Shih-Ting Wang, Naxhije Berisha, Mandana T Manzari, Kristen Vogt, Oleg Gang, Daniel A Heller

Open access · goldAbstract read
In one paragraph

Article in Nature communications, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.

0numbers the graph read from it
0cells of the map it votes in
13citing papers in PubMed
1.8field-weighted citation impact, top 16% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

13 citing papers in PubMed, 18 citations in OpenAlex.

  1. Article
  2. Article
  3. Article
  4. Structure-Selective Polydopamine Coating on Drug Nanoparticles.ACS applied materials & interfaces · 2026
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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

8 authors at 3 institutions in 1 country.

Chen ChenMolecular Pharmacology Program, Memorial Sloan Kettering Cancer Center, New York, NY, 10065, USA.ORCID 0000-0002-4803-0183
You WuMolecular Pharmacology Program, Memorial Sloan Kettering Cancer Center, New York, NY, 10065, USA.
Shih-Ting WangCenter for Functional Nanomaterials, Brookhaven National Laboratory, Upton, NY, 11973, USA.ORCID 0000-0002-7634-8332
Naxhije BerishaMolecular Pharmacology Program, Memorial Sloan Kettering Cancer Center, New York, NY, 10065, USA.
Mandana T ManzariMolecular Pharmacology Program, Memorial Sloan Kettering Cancer Center, New York, NY, 10065, USA.
Kristen VogtMolecular Pharmacology Program, Memorial Sloan Kettering Cancer Center, New York, NY, 10065, USA.ORCID 0000-0001-5404-3442
Oleg GangCenter for Functional Nanomaterials, Brookhaven National Laboratory, Upton, NY, 11973, USA.ORCID 0000-0001-5534-3121
Daniel A HellerMolecular Pharmacology Program, Memorial Sloan Kettering Cancer Center, New York, NY, 10065, USA. hellerd@mskcc.org.ORCID 0000-0002-6866-0000
Memorial Sloan Kettering Cancer Center · USBrookhaven National Laboratory · USThe Graduate Center, CUNY · US

Funding

X-RAY CRYSTALLOGRAPHYP30CA008748 · NCI · SLOAN-KETTERING INSTITUTE FOR CANCER RES · PI Hongbiao Carl Lekaye · 1985 to 2026
$347.4M
Life Science and Biomedical technology Research center at NSLS-II LSBRP41GM111244 · NIGMS · BROOKHAVEN SCIENCE ASSOC-BROOKHAVEN LAB · PI MCSWEENEY, SEAN · 2014 to 2018
$16.4M
P-selectin-Mediated Targeting of PI3K Nanomedicines to the Tumor MicroenvironmentR01CA215719 · NCI · SLOAN-KETTERING INST CAN RESEARCH · PI HELLER, DANIEL ALAN · 2018 to 2022
$3.1M
Tumor-Selective Delivery Approaches for MedulloblastomaR01NS116353 · NINDS · SLOAN-KETTERING INST CAN RESEARCH · PI HELLER, DANIEL ALAN, RAJU, PRAVEEN B. · 2020 to 2024
$3.1M
Inducing Neural Maturation in Medulloblastoma by Targeting EZH2R01NS122987 · NINDS · NEW YORK UNIVERSITY SCHOOL OF MEDICINE · PI RAJU, PRAVEEN B., SNUDERL, MATIJA · 2022 to 2025
$2.8M
Tri-Institutional PhD Program in Chemical BiologyT32GM136640 · NIGMS · WEILL MEDICAL COLL OF CORNELL UNIV · PI DEREK S TAN · 2020 to 2026
$2.4M
Nanotechnology as a therapeutic approach in arteriovenous fistula maturationR01DK129299 · NIDDK · UNIVERSITY OF UTAH · PI JAIMES, EDGAR A, SHIU, YAN-TING E. · 2021 to 2024
$1.7M
A Simultaneous SAXS/WAXS Detector System for Solving Biological StructuresS10OD012331 · OD · STATE UNIVERSITY NEW YORK STONY BROOK · PI ALLAIRE, MARC · 2012 to 2012
$1.1M
Tri-Institutional PhD Program in Chemical BiologyT32GM115327 · NIGMS · WEILL MEDICAL COLL OF CORNELL UNIV · PI TAN, DEREK S · 2015 to 2019
$741k
NCI NIH HHS P30 CA008748NCI NIH HHS R01 CA215719NIDDK NIH HHS R01 DK129299NIGMS NIH HHS P41 GM111244NIGMS NIH HHS T32 GM115327NIGMS NIH HHS T32 GM136640NIH HHS S10 OD012331NINDS NIH HHS R01 NS116353NINDS NIH HHS R01 NS122987
6 · The paper itself

Abstract

Drug nanoaggregates are particles that can deleteriously cause false positive results during drug screening efforts, but alternatively, they may be used to improve pharmacokinetics when developed for drug delivery purposes. The structural features of molecules that drive nanoaggregate formation remain elusive, however, and the prediction of intracellular aggregation and rational design of nanoaggregate-based carriers are still challenging. We investigate nanoaggregate self-assembly mechanisms using small molecule fragments to identify the critical molecular forces that contribute to self-assembly. We find that aromatic groups and hydrogen bond acceptors/donors are essential for nanoaggregate formation, suggesting that both π-π stacking and hydrogen bonding are drivers of nanoaggregation. We apply structure-assembly-relationship analysis to the drug sorafenib and discover that nanoaggregate formation can be predicted entirely using drug fragment substructures. We also find that drug nanoaggregates are stabilized in an amorphous core-shell structure. These findings demonstrate that rational design can address intracellular aggregation and pharmacologic/delivery challenges in conventional and fragment-based drug development processes.

Indexed as

Molecular Dynamics SimulationPharmaceutical PreparationsPharmaceutical Preparations

Identifiers

PMID38097573
PMCPMC10721832
OpenAlexW4389764568

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.