Spectroscopic characterization and geometry optimization of a ruthenium(II) complex with a limonene-derived amino-oxime ligand: DFT/TD-DFT inspection, in silico molecular docking, and dynamics simulations for a potent cancer drug.

Mohamed El Hllafi, Anas Chraka, Yousra El Fannassi, Yosra Benabdelouahab, Mounir Nechar, Abdelaziz Dahdouh, Mohamed Amin El Amrani

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Article in Journal of computer-aided molecular design, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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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.

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5 · Who and what money

Authors and funding

7 authors.

Mohamed El HllafiLaboratory of Applied Chemistry, Microbiology, and Biotechnology, Faculty of Sciences, Abdelmalek Essaadi University, Tetouan, Morocco. mohamed.elhllafi98@gmail.com.

Anas ChrakaLaboratory of Materials Engineering and Sustainable Energy (IMED-LAB), Faculty of Science, Abdelmalek Essaadi University, Tetouan, Morocco. anaschraka@gmail.com.

Yousra El FannassiLaboratory of Applied Chemistry, Microbiology, and Biotechnology, Faculty of Sciences, Abdelmalek Essaadi University, Tetouan, Morocco.

Yosra BenabdelouahabLaboratory of Applied Chemistry, Microbiology, and Biotechnology, Faculty of Sciences, Abdelmalek Essaadi University, Tetouan, Morocco.

Mounir NecharLaboratory of Water, Studies and Environmental Analysis (L2EAE), Abdelmalek Essaâdi University, Tétouan, Morocco.

Abdelaziz DahdouhLaboratory of Applied Chemistry, Microbiology, and Biotechnology, Faculty of Sciences, Abdelmalek Essaadi University, Tetouan, Morocco.

Mohamed Amin El AmraniLaboratory of Applied Chemistry, Microbiology, and Biotechnology, Faculty of Sciences, Abdelmalek Essaadi University, Tetouan, Morocco.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

In this paper, we investigated the structure of a ruthenium(II) complex bearing a limonene-derived amino-oxime ligand using UV-Vis and FT-IR spectroscopy. The compound exhibited potent anticancer activity, with IC

Indexed as

Antineoplastic AgentsCoordination ComplexesLimoneneOximesRutheniumCell Line, TumorDensity Functional TheoryHeLa CellsHumansLigandsMolecular Docking SimulationMolecular Dynamics SimulationSpectroscopy, Fourier Transform InfraredAntineoplastic AgentsCoordination ComplexesLigandsLimoneneOximesRutheniumDFTHSAMD simulationMolecular dockingRu(II) complexTD-DFT

Identifiers

PMID42315715

DOI10.1007/s10822-026-00848-9

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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.