Evidence map›Paper›PMID 29550744›Full record

ArticleJournal of molecular graphics & modelling2018

Development and validation of chemical features-based proton-coupled folate transporter/activity and reduced folate carrier/activity models (pharmacophores).

Khushbu Shah, Sudhir Raghavan, Zhanjun Hou, Larry H Matherly, Aleem Gangjee

Open access · greenAbstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Journal of molecular graphics & modelling, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
0.2field-weighted citation impact, top 45% 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

0 citing papers in PubMed, 1 citations in OpenAlex.

No citing paper in PubMed yet.

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

5 authors at 3 institutions in 1 country.

Khushbu ShahDivision of Medicinal Chemistry, Graduate School of Pharmaceutical Sciences, Duquesne University, 600 Forbes Avenue, Pittsburgh, PA 15282, United States.
Sudhir RaghavanDivision of Medicinal Chemistry, Graduate School of Pharmaceutical Sciences, Duquesne University, 600 Forbes Avenue, Pittsburgh, PA 15282, United States.
Zhanjun HouMolecular Therapeutics Program, Barbara Ann Karmanos Cancer Institute, and Department of Oncology, Wayne State University School of Medicine, 421 East Canfield Street, Detroit, MI 48201, United States.
Larry H MatherlyMolecular Therapeutics Program, Barbara Ann Karmanos Cancer Institute, and Department of Oncology, Wayne State University School of Medicine, 421 East Canfield Street, Detroit, MI 48201, United States.
Aleem GangjeeDivision of Medicinal Chemistry, Graduate School of Pharmaceutical Sciences, Duquesne University, 600 Forbes Avenue, Pittsburgh, PA 15282, United States. Electronic address: gangjee@duq.edu.
Duquesne University · USThe Barbara Ann Karmanos Cancer Institute · USWayne State University · US

Funding

MOLECULAR REGULATION OF FOLATE AND ANTIFOLATE TRANSPORTR01CA053535 · NCI · WAYNE STATE UNIVERSITY · PI HOU, ZHANJUN, MATHERLY, LARRY H · 1993 to 2024
$6.3M
Discovery of novel PCFT-targeted agentsR01CA152316 · NCI · WAYNE STATE UNIVERSITY · PI GANGJEE, ALEEM, MATHERLY, LARRY H · 2011 to 2015
$2.3M
Purine Synthesis Inhibitors with Selective Folate Receptor Tumor TransportR01CA166711 · NCI · DUQUESNE UNIVERSITY · PI DANN, CHARLES E., GANGJEE, ALEEM · 2013 to 2015
$1.7M
Alpha Folate Receptor Mediated GARFTase Inhibitors as Selective Antitumor AgentsR01CA125153 · NCI · DUQUESNE UNIVERSITY · PI GANGJEE, ALEEM · 2006 to 2010
$1.3M
NCI NIH HHS R01 CA053535NCI NIH HHS R01 CA125153NCI NIH HHS R01 CA152316NCI NIH HHS R01 CA166711
6 · The paper itself

Abstract

All clinically used antifolates lack transport selectivity for tumors over normal cells resulting in dose-limiting toxicities. There is growing interest in developing novel tumor-targeted cytotoxic antifolates with selective transport into tumors over normal cells via the proton-coupled folate transporter (PCFT) over the ubiquitously expressed reduced folate carrier (RFC). A lack of X-ray crystal structures or predictive models for PCFT or RFC has hindered structure-aided drug design for PCFT-selective therapeutics. Four-point validated models (pharmacophores) were generated for PCFT/Activity (HBA, NI, RA, RA) and RFC/Activity (HBD, NI, HBA, HBA) based on inhibition (IC

Indexed as

Drug DevelopmentMolecular Docking SimulationMolecular Dynamics SimulationAnimalsCHO CellsCricetulusFolic Acid AntagonistsHumansInhibitory Concentration 50Molecular StructureProton-Coupled Folate TransporterQuantitative Structure-Activity RelationshipReduced Folate Carrier ProteinReproducibility of ResultsFolic Acid AntagonistsProton-Coupled Folate TransporterReduced Folate Carrier Protein

Identifiers

PMID29550744
PMCPMC5959037
OpenAlexW2792315884

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.