Evidence map›Paper›PMID 40692158›Full record

ArticleCurrent topics in medicinal chemistry2026

Unveiling Anti-Cancer Potential through ADMET Prediction, Molecular Docking, Molecular Dynamics, and

Sagar Rout, Katarina Bauerova, Bhabani Sankar Satapathy, Srikanth Gatadi, Vasavi Malkhed

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Article in Current topics in medicinal chemistry, 2026. 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

5 authors.

Sagar RoutSchool of Pharmaceutical Sciences, Siksha O Anusandhan University, Bhubaneswar, India.ORCID 0009-0005-1660-4241
Katarina BauerovaCenter of Experimental Medicine, Institute of Experimental Pharmacology and Toxicology, Slovak Academy of Sciences, Bratislava, Slovakia.ORCID 0000-0002-7863-2142
Bhabani Sankar SatapathyGITAM School of Pharmacy, GITAM Deemed to be University, Hyderabad campus, Telangana, India.ORCID 0000-0002-9175-8356
Srikanth GatadiGITAM School of Pharmacy, GITAM Deemed to be University, Hyderabad campus, Telangana, India.ORCID 0009-0005-4962-5030
Vasavi MalkhedDepartment of Chemistry, University College of Science, Saifabad, Osmania University, Hyderabad, Telangana, India.ORCID 0000-0002-1597-4217

Funding

Slovakia VEGA 2/0079/24
6 · The paper itself

Abstract

introductionRoutine synthetic chemo-drugs for the treatment of glioma exhibit limited blood-brain barrier (BBB) permeation and unavoidable serious neuronal toxicity with substandard treatment outcomes, which necessitates the exploration of novel, efficacious yet healthy tissuefriendly entities having the desired physicochemical characteristics with effective anticancer potential.

methodsADMET analysis to investigate drug-likeness and toxicity profile of alpha-terpineol, followed by characterization of selected proteins.

resultsADMET analysis showed promising results. Alpha-terpineol docked preferentially with selected glioma proliferation proteins, having a good docking score (>8). Reasonable antioxidant and cytotoxicity activity (IC DISCUSSION: The present study confirmed the potential anti-inflammatory, antioxidant, and anticancer effects of AT, which were further supported by in vitro study results. ADME analysis showed favourable drug-likeness of AT with desirable BBB permeation characteristics. AT was found to be potentially toxic to C6 glioma cells, whereas negligibly toxic to healthy neuronal cells.

conclusionThe outcomes of the study provide supportive evidence to proceed with further

Indexed as

Antineoplastic AgentsAntioxidantsCyclohexane MonoterpenesGliomaMolecular Docking SimulationMolecular Dynamics SimulationCell Line, TumorCell ProliferationDose-Response Relationship, DrugDrug Screening Assays, AntitumorHumansMolecular StructureStructure-Activity Relationshipalpha-terpineolAntineoplastic AgentsAntioxidantsCyclohexane MonoterpenesADMET analysisAlpha-terpineolGliomaMolecular dockingMolecular dynamic simulationMTT assay

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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.