Evidence map›Paper›PMID 42369418›Full record

ArticleNAM journal2025

QSAR, molecular docking, molecular dynamics and DFT-based design of novel Quinoline-2-yl (piperazin-1-yl) inhibitors of hepatitis C virus.

Abubakar Sadiq Bello, A Uzairu, G A Shallangwa, A Ibrahim, Mujeeb Khan, M T Ibrahim

Abstract read
In one paragraph

Article in NAM journal, 2025. 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
–field-weighted citation impact
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.

  1. 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

6 authors.

Abubakar Sadiq BelloDepartment of Chemistry, Faculty of Physical Science, Ahmadu Bello University, P.M.B 1045, Zaria, Kaduna State, Nigeria.
A UzairuDepartment of Chemistry, Faculty of Physical Science, Ahmadu Bello University, P.M.B 1045, Zaria, Kaduna State, Nigeria.
G A ShallangwaDepartment of Chemistry, Faculty of Physical Science, Ahmadu Bello University, P.M.B 1045, Zaria, Kaduna State, Nigeria.
A IbrahimDepartment of Chemistry, Faculty of Physical Science, Ahmadu Bello University, P.M.B 1045, Zaria, Kaduna State, Nigeria.
Mujeeb KhanDepartment of Pharmaceutical Chemistry, R. C. Patel Institute of Pharmaceutical Education and Research, Shirpur, 425405, Maharashtra, India.
M T IbrahimDepartment of Chemistry, Faculty of Physical Science, Ahmadu Bello University, P.M.B 1045, Zaria, Kaduna State, Nigeria.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Liver cirrhosis and hepatocellular cancer are brought on by the hepatitis C virus (HCV). Since the virus's discovery, significant therapeutic advancements have been made. Recent studies have demonstrated the growing importance of plant compounds in the creation of novel, efficient, and reasonably priced anti-Hepatitis C virus therapies. The present study involved a thorough analysis of 35 Quinoline-2-yl (piperazin-1-yl) compounds. These compounds were computationally analyzed using in-silico methods like 2D-3D QSAR modeling and molecular docking, and their results were verified through the use of Density Functional Theory (DFT) calculations and ADMET characteristics assessment. The inhibitors were optimized using DFT based on a notion of B3LYP/6-31G* levels. The genetic function algorithm (GFA) was utilized to create the QSAR models. The best model was chosen based on its statistical fitness using the subsequent measurement parameters: R

Indexed as

ADMET propertiesHepatitis CMolecular dockingNS-5B Polymerase

Identifiers

PMID42369418
PMCPMC13288660

What OpenQuestion holds

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Registered trials

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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.