A Computational Investigation of Four Sesquiterpene [4+2] Trimers, Inubritantrimers A-D, and Their Synthetic Intermediates Isolated from

Xiaoyun Xia, Xiandong Du, Zhifeng Chen, Sisi Yu, Chaojie Wang

Abstract read

In one paragraph

Article in Molecules (Basel, Switzerland), 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

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5 · Who and what money

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5 authors.

Xiaoyun XiaSchool of Pharmaceutical Sciences, Wenzhou Medical University, Wenzhou 325035, China.ORCID 0009-0000-5785-796X

Xiandong DuSchool of Pharmaceutical Sciences, Wenzhou Medical University, Wenzhou 325035, China.

Zhifeng ChenSchool of Pharmaceutical Sciences, Wenzhou Medical University, Wenzhou 325035, China.

Sisi YuSchool of Pharmaceutical Sciences, Wenzhou Medical University, Wenzhou 325035, China.

Chaojie WangSchool of Pharmaceutical Sciences, Wenzhou Medical University, Wenzhou 325035, China.ORCID 0000-0003-2466-5704

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Triple-negative breast cancer (TNBC) is a clinically aggressive malignancy with extremely limited effective targeted therapies. Natural products are promising alternatives for anticancer drug discovery, whereas integrated computational approaches serve as efficient tools for novel lead identification. Herein, four novel spiro-polycyclic sesquiterpene [4+2] trimers (Inubritantrimers A-D) and eight synthetic derivatives from

Indexed as

InulaSesquiterpenesHumansMolecular Docking SimulationMolecular Dynamics SimulationMolecular StructureThermodynamicsSesquiterpenesDFTexo/endo configurationInula britannicamolecular dockingmolecular dynamics simulation

Identifiers

PMID42197312

DOI10.3390/molecules31101759

PMCPMC13209964

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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.