Evidence map›Paper›PMID 36403651›Full record

ArticleEnvironmental research2023

The vitamin D receptor as a potential target for the toxic effects of per- and polyfluoroalkyl substances (PFASs): An in-silico study.

Ettayapuram Ramaprasad Azhagiya Singam, Kathleen A Durkin, Michele A La Merrill, J David Furlow, Jen-Chywan Wang, Martyn T Smith

Open access · greenAbstract read
In one paragraph

Article in Environmental research, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 20 papers.

0numbers the graph read from it
0cells of the map it votes in
20citing papers in PubMed
3.1field-weighted citation impact, top 8% 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

20 citing papers in PubMed, 34 citations in OpenAlex.

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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

6 authors at 3 institutions in 1 country.

Ettayapuram Ramaprasad Azhagiya SingamMolecular Graphics and Computation Facility, College of Chemistry, University of California, Berkeley, CA, 94720, USA.
Kathleen A DurkinMolecular Graphics and Computation Facility, College of Chemistry, University of California, Berkeley, CA, 94720, USA. Electronic address: durkin@berkeley.edu.
Michele A La MerrillDepartment of Environmental Toxicology, University of California, Davis, CA, 95616, USA.
J David FurlowDepartment of Neurobiology, Physiology and Behavior, University of California, Davis, 95616, CA, USA.
Jen-Chywan WangDepartment of Nutritional Sciences and Toxicology, University of California, Berkeley, CA 94720, USA.
Martyn T SmithDivision of Environmental Health Sciences, School of Public Health, University of California Berkeley, CA, 94720, USA. Electronic address: martynts@berkeley.edu.
University of California, Berkeley · USUniversity of California, Davis · USBerkeley Public Health Division · US

Funding

GPU Computing Cluster for Transformative Public Health driven Molecular ScienceS10OD034382 · OD · UNIVERSITY OF CALIFORNIA BERKELEY · PI DURKIN, KATHLEEN A · 2023 to 2023
$491k
High Performance Computing Cluster for Public Health Driven Molecular Science - Core FacilityS10OD023532 · OD · UNIVERSITY OF CALIFORNIA BERKELEY · PI DURKIN, KATHLEEN A · 2017 to 2017
$434k
NIH HHS S10 OD023532NIH HHS S10 OD034382
6 · The paper itself

Abstract

Due to their persistence and toxicity, perfluoroalkyl and polyfluoroalkyl substances (PFASs) constitute significant hazards to human health and the environment. Their effects include immune suppression, altered hormone levels, and osteoporosis. Recently, the most studied PFAS, perfluorooctanoic acid (PFOA), was shown to competitively binding to the Vitamin D receptor (VDR). VDR plays a crucial role in regulating genes involved in maintaining immune, endocrine, and calcium homeostasis, suggesting it may be a target for at least some of the health effects of PFAS. Hence, this study examined the potential binding of 5206 PFASs to VDR using molecular docking, molecular dynamics, and free energy binding calculations. We identified 14 PFAS that are predicted to interact strongly with VDR, similar to the natural ligands. We further investigated the interactions of VDR with 256 PFASs of established commercial importance. Eighty-three (32%) of these 256 commercially important PFAS were predicted to be stronger binders to VDR than PFOA. At least 16 PFASs of regulatory importance, because they have been identified in water supplies and human blood samples, were also more potent binders to VDR than PFOA. Further, PFASs are usually found together in contaminated drinking water and human blood samples, which raises the concern that multiple PFASs may act together as a mixture on VDR function, potentially producing harmful effects on the immune, endocrine, and bone homeostasis.

Indexed as

Alkanesulfonic AcidsFluorocarbonsCaprylatesHumansMolecular Docking SimulationReceptors, CalcitriolAlkanesulfonic AcidsCaprylatesFluorocarbonsperfluorooctanoic acidReceptors, CalcitriolBoneCalcitriolEndocrine disruptionImmuneMolecular dockingPFASVDRVirtual screeningVitamin D3

Identifiers

PMID36403651
PMCPMC10044465
OpenAlexW4309278775

What OpenQuestion holds

Textmetadata
LicenceTDM
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.