Evidence map›Paper›PMID 33611723›Full record

ArticleJournal of molecular modeling2021

Theoretical analysis of the structural and electronic properties of the interaction of boron nitride diamantane nanocrystal with the drug hydroxyurea as an anticancer drug.

Haider O Muhsen, Ali Obies Muhsen Almayyali, Ammar Yahya Al-Mamoori, Fatin Fadhel Mahmood

Abstract read
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In one paragraph

Article in Journal of molecular modeling, 2021. 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
0.8field-weighted citation impact, top 33% of its field
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, 15 citations in OpenAlex.

  1. Review
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

4 authors at 1 institution in 1 country.

Haider O MuhsenDirectorate General for Education in Babylon, Ministry of Education, Babylon, Iraq.
Ali Obies Muhsen AlmayyaliDepartment of Physics, College of Education for Pure Sciences, University of Babylon, Hilla, Iraq. almayyali.1982@yahoo.com.
Ammar Yahya Al-MamooriDepartment of Physics, College of Education for Pure Sciences, University of Babylon, Hilla, Iraq.
Fatin Fadhel MahmoodDepartment of Physics, College of Education for Pure Sciences, University of Babylon, Hilla, Iraq.
University of Babylon · IQ

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The density functional theory calculations with hybrid B3LYP/6-31G(d,p) basis sets have been used to examine the structural and electronic properties of boron nitride (BN) diamantane interacted with the drug hydroxyurea (HU) as an anticancer drug. The findings have been shown that there is a decrease in the total energy after combining the drug with diamantane. The energy levels of HOMO and LUMO analyses indicate that the value of HOMO energy increased slightly, while the value of LUMO energy decreased significantly in these systems in the HU/BN diamantane. In addition, the decreasing of the energy gap between HOMO and LUMO confirms a strong bond between the drug hydroxyurea and BN diamantane. Finally, the drug's stability and reactivity with BN diamantane were investigated by measuring chemical reaction characteristics such as chemical potential, electron affinity, global hardness, and electrophilicity index. As a result, the nanocrystal of BN diamantane can be considered a vector for the delivery of anticancer drugs within biological systems.

Indexed as

AdamantaneAntineoplastic AgentsBoron CompoundsDensity Functional TheoryDrug CarriersHydroxyureaNanoparticlesStructure-Activity RelationshipAdamantaneAntineoplastic AgentsBoron Compoundsboron nitrideDrug CarriersHydroxyureaBN diamantaneDensity functional theoryDrug-deliveryHydroxyureaNanocrystal

Identifiers

PMID33611723
OpenAlexW3133160067

What OpenQuestion holds

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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.