Evidence map›Paper›PMID 41048574›Full record

ArticleIn silico pharmacology2025

Computer-aided design process of possible antisickling agents using molecular docking, pharmacokinetic assessment, homology modeling, and molecular dynamic studies targeting Hba protein.

Stephen Ejeh, Habiba Asipita Otaru, Muhammad Tukur Ibrahim, Abdullahi Bello Umar, John Enyi Ejeh, Abduljelil Ajala, Samuel Ndaghiya Adawara, Ramith Ramu, Fabian Audu Ugbe, Joshua John and 1 more

Abstract read
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In one paragraph

Article in In silico pharmacology, 2025. 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
–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

0 citing papers in PubMed.

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

11 authors.

Stephen EjehDepartment of Chemistry, Faculty of Physical Sciences, Ahmadu Bello University, P.M.B. 1044, Zaria Kaduna, Nigeria.ORCID 0000-0002-3065-6575
Habiba Asipita OtaruFaculty of Physical Science, Department of Chemistry, Nigerian Defence Academy Kaduna, Kaduna, Nigeria.
Muhammad Tukur IbrahimDepartment of Chemistry, Faculty of Physical Sciences, Ahmadu Bello University, P.M.B. 1044, Zaria Kaduna, Nigeria.
Abdullahi Bello UmarDepartment of Chemistry, Faculty of Physical Sciences, Ahmadu Bello University, P.M.B. 1044, Zaria Kaduna, Nigeria.
John Enyi EjehDepartment of Nuclear Medicine, College of Medicine, University of Ibadan, Ibadan, Nigeria.
Abduljelil AjalaDepartment of Chemistry, Faculty of Physical Sciences, Ahmadu Bello University, P.M.B. 1044, Zaria Kaduna, Nigeria.
Samuel Ndaghiya AdawaraDepartment of Pure and Applied Chemistry, Faculty of Science, University of Maiduguri, P.M.B. 1069, Maiduguri, Borno State Nigeria.
Ramith RamuDepartment of Biotechnology and Bioinformatics, JSS Academy of Higher Education and Research, Mysore, Karnataka 570015 India.
Fabian Audu UgbeDepartment of Chemistry, Faculty of Science, University of Abuja, Abuja, Nigeria.
Joshua JohnIya Abubakar Institute of Computing and ICT, Ahmadu Bello University, Zaria, Kaduna State Nigeria.
Idongesit Bassey AnwetingChemistry Department, University of Uyo, Uyo, Akwa Ibom State Nigeria.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Sickle cell disease (SCD), a multiorgan disease that is one of the most common genetic ailments, affects about 15 million people globally. The findings for drugs that bind to hemoglobin and adjust the oxygenation condition have been a key component of SCD treatment. The goal of this study was to use computational methods to find lead compounds, design novel bioactive molecules that are strong SCD inhibitors, and gain further knowledge about their reaction process. With data demonstrating predictive properties of

Indexed as

Antisickling agentsCheminformaticsDrug kineticHomology modelingL-glutamateMD studyPharmacologySickle cell disease

Identifiers

PMID41048574
PMCPMC12494519

What OpenQuestion holds

Textmetadata
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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.