Evidence map›Paper›PMID 39936416›Full record

ArticleCurrent neuropharmacology2025

Informatics Approach Towards Targeting HTR1B Pathways in Neuropharmacology for Migraine Treatment.

Saleem Ahmad, Li Wang, Imran Zafar, Zain Abbas, Ahsanullah Unar, Mohamed Mohany, Salim S Al-Rejaie, Najeeb Ullah Khan, Ijaz Ali, Muhammad Shafiq

Abstract read
In one paragraph

Article in Current neuropharmacology, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers, 1 of them a synthesis that pooled it.

0numbers the graph read from it
0cells of the map it votes in
2citing papers in PubMed, 1 pooled it
–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

2 citing papers in PubMed, 1 synthesis or guideline pooled it.

  1. Pooled it
  2. 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

10 authors.

Saleem AhmadCardiovascular Center of Excellence, Louisiana State University Health Sciences Center, New Orleans, LA, United States.
Li WangShenzhen Hospital Beijing University of Chinese Medicine, Guangdong, China.
Imran ZafarDepartment of Biotechnology, The University of Faisalabad (TUF), Faisalabad, Punjab, Pakistan.
Zain AbbasDepartment of Life Sciences, University of Management and Technology, Lahore, Punjab, Pakistan.
Ahsanullah UnarDepartment of Precision Medicine, University of Campania 'L. Vanvitelli', Naples, Italy.
Mohamed MohanyDepartment of Pharmacology and Toxicology, College of Pharmacy, King Saud University, P.O. Box 55760, Riyadh 11451, Saudi Arabia.
Salim S Al-RejaieDepartment of Pharmacology and Toxicology, College of Pharmacy, King Saud University, P.O. Box 55760, Riyadh 11451, Saudi Arabia.
Najeeb Ullah KhanInstitute of Biotechnology & Genetic Engineering (Health Division), The University of Agriculture, Peshawar, Pakistan.
Ijaz AliCentre for Applied Mathematics and Bioinformatics (CAMB), Gulf University for Science and Technology, Hawally, Kuwait.
Muhammad ShafiqResearch Institute of Clinical Pharmacy, Department of Pharmacology, Shantou University Medical College, Shantou, 515041, China.

Funding

King Saud University in Riyadh, Saudi Arabia ORF-2025-758
6 · The paper itself

Abstract

introductionMigraine is a prevalent and debilitating neurological disorder, with current therapies are frequently ineffective and have side effects. Recent studies in neuropharmacology present the serotonin 1B receptor (HTR1B) receptor as a viable avenue of migraine treatment since it influences pain and vasoconstriction.

methodsThis research broadly uses computational approaches to explain the 5-hydroxytryptamine receptor 1B (HTR1B) pathways in neuropharmacology for migraine treatment.

resultsText mining results reveal 25 essential genes, and network pharmacology provides complex mechanisms among genes and proteins, revealing a sophisticated network consisting of 41 nodes and 361 edges. The protein structure and function were elucidated through high-resolution protein modelling and validation, yielding significant new information. The structure has a resolution of 2.05 Å and a C-score of 0.30. The virtual screening explored the best ligands, which had binding affinities ranging from -13.8 to -9.6 kcal/mol from a set of 25 molecules. Docking results indicated that FDAapproved ligands showed high binding affinities, ranging from -11.4 to -12.5 kcal/mol among other natural and synthetic libraries. The pharmacokinetic profiles of the potential drugs showed significant diversity in their solubility and lipophilicity qualities (F(2,6) = 15.13, p = 0.004), suggesting different levels of safety and efficacy. MD simulation clarified the dynamic interactions between the protein and ligand at 100ns. The RMSD values were stable within the 6.0-7.5 Å range, indicating a consistent structure. RMSF values revealed areas of flexibility in the protein. The toxicity risk assessment of Xaliproden indicated modest risks.

conclusionThis study provides a foundation for targeted HTR1B-based migraine therapies and highlights the value of informatics tools in accelerating drug discovery in neuropharmacology.

Indexed as

Migraine DisordersNeuropharmacologyReceptor, Serotonin, 5-HT1BAnimalsHumansLigandsMolecular Docking SimulationLigandsReceptor, Serotonin, 5-HT1BHTR1B pathwaymigraine treatment.molecular dockingmolecular dynamics simulationnetwork pharmacologypharmacokinetic profiling

Identifiers

PMID39936416
PMCPMC12676031

What Socratic 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 Socratic graph.