Evidence map›Paper›PMID 39055829›Full record

ArticleHeliyon2024

Structural and theoretical exploration of a multi-methoxy chalcone: Synthesis, quantum theory, electrostatics, molecular packing, DFT analysis, and in-silico anti-cancer evaluation.

Fares Hezam Al-Ostoot, P Akhileshwari, Vivek Hamse Kameshwar, D V Geetha, Majed S Aljohani, Hussam Y Alharbi, Shaukath Ara Khanum, M A Sridhar

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Heliyon, 2024. 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

8 authors.

Fares Hezam Al-OstootDepartment of Biochemistry, Faculty of Education & Science, Albaydha University, Albaydha, Yemen.
P AkhileshwariPG Department of Physics, JSS College of Arts, Commerce and Science, Ooty Road, Mysuru 570025, Karnataka, India.
Vivek Hamse KameshwarDepartment of Biotechnology, Adichunchanagiri School of Natural Sciences, ACU-CRI, Adichunchanagiri University, B.G. Nagara- 571448, Mandya, Karnataka, India.
D V GeethaPhysics Department, Mysore University School of Engineering, Manasagangotri, Mysuru 570006, India.
Majed S AljohaniDepartment of Chemistry, Faculty of Science, Taibah University, Yanbu, Saudi Arabia.
Hussam Y AlharbiDepartment of Chemistry, Faculty of Science, Taibah University, Yanbu, Saudi Arabia.
Shaukath Ara KhanumDepartment of Biochemistry, Faculty of Education & Science, Albaydha University, Albaydha, Yemen.
M A SridharDepartment of Studies in Physics, Manasagangotri, University of Mysore, Mysuru 570 006, India.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

This study explores the pharmacological potential of chalcones through a multidisciplinary approach, including synthesis, quantum theory, molecular electrostatics, and density functional theory (DFT) calculations. The synthesized compound, analyzed via single crystal X-ray diffraction, crystallized in the triclinic system (space group P-1) with C-H⋯O interactions stabilizing its structure. Hirshfeld surface analysis confirms these interactions, with H-H contacts dominating (45.1 %). Molecular electrostatics analysis reveals charge distribution, and a 3.10 eV HOMO-LUMO energy gap indicates bioactivity. Molecular docking identifies the compound (

Indexed as

Anti-cancer activityChalconeDFT calculationsMolecular electrostaticMolecular packingQuantum theory

Identifiers

PMID39055829
PMCPMC11269856

What OpenQuestion holds

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LicenceCC BY-NC
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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 OpenQuestion graph.