Evidence map›Paper›PMID 31133671›Full record

ArticleScientific reports2019

Computational studies on the molecular insights of aptamer induced poly(N-isopropylacrylamide)-graft-graphene oxide for on/off- switchable whole-cell cancer diagnostics.

Athika Darumas Putri, Bayu Tri Murti, Suvardhan Kanchi, Myalowenkosi I Sabela, Krishna Bisetty, Ashutosh Tiwari, Inamuddin, Abdullah M Asiri

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

Article in Scientific reports, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.

0numbers the graph read from it
0cells of the map it votes in
9citing papers in PubMed
1.7field-weighted citation impact, top 17% 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

9 citing papers in PubMed, 28 citations in OpenAlex.

  1. Article
  2. Article
  3. Article
  4. Review
  5. Article
  6. Review
  7. Article
  8. Review
  9. Article
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 4 countries.

Athika Darumas PutriDepartment of Chemistry, Faculty of Applied Science, Durban University of Technology, Durban, 4000, South Africa.ORCID http://orcid.org/0000-0001-8890-0393
Bayu Tri MurtiDepartment of Chemistry, Faculty of Applied Science, Durban University of Technology, Durban, 4000, South Africa.
Suvardhan KanchiDepartment of Chemistry, Faculty of Applied Science, Durban University of Technology, Durban, 4000, South Africa.ORCID http://orcid.org/0000-0003-3299-7821
Myalowenkosi I SabelaDepartment of Chemistry, Faculty of Applied Science, Durban University of Technology, Durban, 4000, South Africa.
Krishna BisettyDepartment of Chemistry, Faculty of Applied Science, Durban University of Technology, Durban, 4000, South Africa. bisettyk@dut.ac.za.
Ashutosh TiwariInstitute of Advanced Materials, UCS, Teknikringen 4A, Mjärdevi Science Park, SE-58330, Linköping, Sweden.ORCID http://orcid.org/0000-0001-5634-7749
InamuddinChemistry Department, Faculty of Science, King Abdulaziz University, Jeddah, 21589, Saudi Arabia. inamuddin@rediffmail.com.
Abdullah M AsiriChemistry Department, Faculty of Science, King Abdulaziz University, Jeddah, 21589, Saudi Arabia.ORCID http://orcid.org/0000-0001-7905-3209
Durban University of Technology · ZAKing Abdulaziz University · SAVinoba Bhave University · IN

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

This work deals with first-principles and in silico studies of graphene oxide-based whole-cell selective aptamers for cancer diagnostics utilising a tunable-surface strategy. Herein, graphene oxide (GO) was constructed as a surface-based model with poly(N-isopropylacrylamide) (PNIPAM) covalently grafted as an "on/off"-switch in triggering interactions with the cancer-cell protein around its lower critical solution temperature. The atomic building blocks of the aptamer and the PNIPAM adsorbed onto the GO was investigated at the density functional theory (DFT) level. The presence of the monomer of PNIPAM stabilised the system's π-π interaction between GO and its nucleobases as confirmed by higher bandgap energy, satisfying the eigenvalues of the single-point energy observed rather than the nucleobase and the GO complex independently. The unaltered geometrical structures of the surface emphasise the physisorption type interaction between the nucleobase and the GO/NIPAM surface. The docking result for the aptamer and the protein, highlighted the behavior of the PNIPAM-graft-GO  is exhibiting globular and extended conformations, further supported by molecular dynamics (MD) simulations. These studies enabled a better understanding of the thermal responsive behavior of the polymer-enhanced GO complex for whole-cell protein interactions through computational methods.

Indexed as

Acrylic ResinsAdsorptionAptamers, NucleotideBiosensing TechniquesDensity Functional TheoryGraphiteMolecular Docking SimulationMolecular Dynamics SimulationNeoplasmsAcrylic ResinsAptamers, Nucleotidegraphene oxideGraphitepoly-N-isopropylacrylamide

Identifiers

PMID31133671
PMCPMC6536548
OpenAlexW2946893754

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.