Evidence map›Paper›PMID 29882783›Full record

ArticleMolecules (Basel, Switzerland)2018

Structure⁻Activity Relationship and Molecular Docking of Natural Product Library Reveal Chrysin as a Novel Dipeptidyl Peptidase-4 (DPP-4) Inhibitor: An Integrated In Silico and In Vitro Study.

Poonam Kalhotra, Veera C S R Chittepu, Guillermo Osorio-Revilla, Tzayhri Gallardo-Velázquez

Open access · goldAbstract read
In one paragraph

Article in Molecules (Basel, Switzerland), 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 24 papers.

0numbers the graph read from it
0cells of the map it votes in
24citing papers in PubMed
6.8field-weighted citation impact, top 3% 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

24 citing papers in PubMed, 61 citations in OpenAlex.

  1. Review
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  8. Molecular Structure-Based Screening of the Constituents ofCurrent issues in molecular biology · 2022
    Article
  9. Review
  10. Article
  11. Review
  12. Flavonoids against the SARS-CoV-2 induced inflammatory storm.Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie · 2021
    Review
  13. Article
  14. Review
  15. Article
  16. Chrysin mitigated obesity by regulating energy intake and expenditure in rats.Journal of traditional and complementary medicine · 2020
    Article
  17. Article
  18. Article
  19. Article
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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

4 authors at 1 institution in 1 country.

Poonam KalhotraDepartamento de Biofísica, Escuela Nacional de Ciencias Biológicas, Instituto Politécnico Nacional, Prolongación de Carpio y Plan de Ayala S/N. Col. Santo Tomás, C.P. 11340 Ciudad de México, Mexico. kalhotrapoonam@gmail.com.ORCID 0000-0001-8706-5488
Veera C S R ChittepuDepartamento de Ingeniería Bioquímica, Escuela Nacional de Ciencias Biológicas, Instituto Politécnico Nacional, Av. Wilfrido Massieu S/N, Col. Unidad Profesional Adolfo López Mateos, Zacatenco, C.P. 07738 Ciudad de México, Mexico. veerareddy9@gmail.com.ORCID 0000-0002-9032-0360
Guillermo Osorio-RevillaDepartamento de Ingeniería Bioquímica, Escuela Nacional de Ciencias Biológicas, Instituto Politécnico Nacional, Av. Wilfrido Massieu S/N, Col. Unidad Profesional Adolfo López Mateos, Zacatenco, C.P. 07738 Ciudad de México, Mexico. osorgi@gmail.com.
Tzayhri Gallardo-VelázquezDepartamento de Biofísica, Escuela Nacional de Ciencias Biológicas, Instituto Politécnico Nacional, Prolongación de Carpio y Plan de Ayala S/N. Col. Santo Tomás, C.P. 11340 Ciudad de México, Mexico. gtzayhri@yahoo.com.ORCID 0000-0002-9587-9091
Instituto Politécnico Nacional · MX

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Numerous studies indicate that diets with a variety of fruits and vegetables decrease the incidence of severe diseases, like diabetes, obesity, and cancer. Diets contain a variety of bioactive compounds, and their features, like diverge scaffolds, and structural complexity make them the most successful source of potential leads or hits in the process of drug discovery and drug development. Recently, novel serine protease dipeptidyl peptidase-4 (DPP-4) inhibitors played a role in the management of diabetes, obesity, and cancer. This study describes the development of field template, field-based qualitative structure⁻activity relationship (SAR) model demonstrating DPP-4 inhibitors of natural origin, and the same model is used to screen virtually focused food database composed of polyphenols as potential DPP-4 inhibitors. Compounds’ similarity to field template, and novelty score “high and very high”, were used as primary criteria to identify novel DPP-4 inhibitors. Molecular docking simulations were performed on the resulting natural compounds using FlexX algorithm. Finally, one natural compound, chrysin, was chosen to be evaluated experimentally to demonstrate the applicability of constructed SAR model. This study provides the molecular insights necessary in the discovery of new leads as DPP-4 inhibitors, to improve the potency of existing DPP-4 natural inhibitors.

Indexed as

AlgorithmsAnimalsComputer SimulationDipeptidyl-Peptidase IV InhibitorsFlavonoidsHumansIn Vitro TechniquesMolecular Docking SimulationRatsStructure-Activity RelationshipchrysinDipeptidyl-Peptidase IV InhibitorsFlavonoidsdipeptidyl peptidase-4 enzymefield-based virtual screeningmolecular dockingnatural productsstructure–activity relationship model

Identifiers

PMID29882783
PMCPMC6100528
OpenAlexW2805671406

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.