Evidence map›Paper›PMID 27531709›Full record

ArticleBiochimica et biophysica acta. General subjects2017

In silico investigation of lavandulyl flavonoids for the development of potent fatty acid synthase-inhibitory prototypes.

Joonseok Oh, Haining Liu, Hyun Bong Park, Daneel Ferreira, Gil-Saeng Jeong, Mark T Hamann, Robert J Doerksen, MinKyun Na

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Biochimica et biophysica acta. General subjects, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
0.8field-weighted citation impact, top 28% 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

1 citing paper in PubMed, 17 citations in OpenAlex.

  1. Review
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 5 institutions in 2 countries.

Joonseok OhDepartment of BioMolecular Sciences, Division of Pharmacognosy, School of Pharmacy, The University of Mississippi, University, MS 38677, United States; Research Institute of Pharmaceutical Sciences, School of Pharmacy, The University of Mississippi, University, MS 38677, United States; Department of Chemistry, Yale University, New Haven, CT 06520, United States; Chemical Biology Institute, Yale University, West Haven, CT 06516, United States.
Haining LiuDepartment of BioMolecular Sciences, Division of Medicinal Chemistry, School of Pharmacy, The University of Mississippi, University, MS 38677, United States; Research Institute of Pharmaceutical Sciences, School of Pharmacy, The University of Mississippi, University, MS 38677, United States.
Hyun Bong ParkDepartment of Chemistry, Yale University, New Haven, CT 06520, United States; Chemical Biology Institute, Yale University, West Haven, CT 06516, United States.
Daneel FerreiraDepartment of BioMolecular Sciences, Division of Pharmacognosy, School of Pharmacy, The University of Mississippi, University, MS 38677, United States; Research Institute of Pharmaceutical Sciences, School of Pharmacy, The University of Mississippi, University, MS 38677, United States.
Gil-Saeng JeongCollege of Pharmacy, Keimyung University, Daegu 42601, Republic of Korea.
Mark T HamannDepartment of BioMolecular Sciences, Division of Pharmacognosy, School of Pharmacy, The University of Mississippi, University, MS 38677, United States; Research Institute of Pharmaceutical Sciences, School of Pharmacy, The University of Mississippi, University, MS 38677, United States; Department of Drug Discovery and Biomedical Sciences, Medical University of South Carolina, Charleston, SC 29425, United States.
Robert J DoerksenDepartment of BioMolecular Sciences, Division of Medicinal Chemistry, School of Pharmacy, The University of Mississippi, University, MS 38677, United States; Research Institute of Pharmaceutical Sciences, School of Pharmacy, The University of Mississippi, University, MS 38677, United States. Electronic address: rjd@olemiss.edu.
MinKyun NaCollege of Pharmacy, Chungnam National University, Daejeon 34134, Republic of Korea. Electronic address: mkna@cnu.ac.kr.
University of Mississippi · USYale University · USChungnam National University · KRKeimyung University · KRMedical University of South Carolina · US

Funding

Natural Product HCV Drugs from Rare Plant-Microbe InteractionsR01AT007318 · NCCIH · UNIVERSITY OF MISSISSIPPI · PI HAMANN, MARK T · 2012 to 2016
$1.6M
RENOVATION OF FOURTH FLOOR OF FASER HALLC06RR014503 · NCRR · UNIVERSITY OF MISSISSIPPI · PI WELLS, BARBARA G · 1999 to 1999
–
NCCIH NIH HHS R01 AT007318NCRR NIH HHS C06 RR014503
6 · The paper itself

Abstract

backgroundInhibition of fatty acid synthase (FAS) is regarded as a sensible therapeutic strategy for the development of optimal anti-cancer agents. Flavonoids exhibit potent anti-neoplastic properties.

methodsThe MeOH extract of Sophora flavescens was subjected to chromatographic analyses such as VLC and HPLC for the purification of active flavonoids. The DP4 chemical-shift analysis protocol was employed to investigate the elusive chirality of the lavandulyl moiety of the purified polyphenols. Induced Fit docking protocols and per-residue analyses were utilized to scrutinize structural prerequisites for hampering FAS activity. The FAS-inhibitory activity of the purified flavonoids was assessed via the incorporation of [

resultsSix flavonoids, including lavandulyl flavanones, were purified and evaluated for FAS inhibition. The lavandulyl flavanone sophoraflavanone G (2) exhibited the highest potency (IC

conclusionThis research suggests a basis for the in silico design of a lavandulyl flavonoid-based architecture showing anti-cancer effects via enhancement of the binding potential to FAS. GENERAL SIGNIFICANCE: FAS inhibition by flavonoids and their derivatives may offer significant potential as an approach to lower the risk of various cancer diseases and related fatalities. In silico technologies with available FAS crystal structures may be of significant use in optimizing preliminary leads.

Indexed as

Computer SimulationA549 CellsAnimalsCarbon-13 Magnetic Resonance SpectroscopyCatalytic DomainCell DeathChickensEnzyme InhibitorsFatty Acid SynthasesFlavonoidsHumansInhibitory Concentration 50MCF-7 CellsMolecular Docking SimulationProtein DomainsProton Magnetic Resonance SpectroscopyEnzyme InhibitorsFatty Acid SynthasesFlavonoidsDP4 chemical-shift analysisFatty acid synthaseInduced Fit dockingLavandulyl flavonoidsPer-residue analysisSophora flavescens

Identifiers

PMID27531709
PMCPMC5918680
OpenAlexW2516793953

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.