Evidence map›Paper›PMID 38165591›Full record

ArticleApplied biochemistry and biotechnology2024

An Integrated Computational Approaches for Designing of Potential Piperidine based Inhibitors of Alzheimer Disease by Targeting Cholinesterase and Monoamine Oxidases Isoenzymes.

Muhammad Sarfraz, Muhammad Khurrum Ibrahim, Syeda Abida Ejaz, Hafiz Muhammad Attaullah, Mubashir Aziz, Mosab Arafat, Tahira Shamim, Muawya Elhadi, Tahira Ruby, Hafiz Kashif Mahmood

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In one paragraph

Article in Applied biochemistry and biotechnology, 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
1.8field-weighted citation impact, top 17% 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, 4 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

10 authors at 5 institutions in 3 countries.

Muhammad SarfrazCollege of Pharmacy, Al Ain University, Al Ain Campus, 64141, Al Ain, United Arab Emirates. muhammad.sarfraz@aau.ac.ae.
Muhammad Khurrum IbrahimBaqai Medical University Karachi, Karachi, 75340, Pakistan.
Syeda Abida EjazDepartment of Pharmaceutical Chemistry, Faculty of Pharmacy, The Islamia University of Bahawalpur, Bahawalpur, 63100, Pakistan. abida.ejaz@iub.edu.pk.ORCID http://orcid.org/0000-0002-8516-7234
Hafiz Muhammad AttaullahDepartment of Pharmaceutical Chemistry, Faculty of Pharmacy, The Islamia University of Bahawalpur, Bahawalpur, 63100, Pakistan.
Mubashir AzizDepartment of Pharmaceutical Chemistry, Faculty of Pharmacy, The Islamia University of Bahawalpur, Bahawalpur, 63100, Pakistan.
Mosab ArafatCollege of Pharmacy, Al Ain University, Al Ain Campus, 64141, Al Ain, United Arab Emirates.
Tahira ShamimFaculty of Medicine and Allied Health Sciences, University College of Conventional Medicine, The Islamia University of Bahawalpur, Bahawalpur, Pakistan.
Muawya ElhadiDepartment of Physics, Faculty of Science and Humanities, Shaqra University, Ad-Dawadimi 11911, P.O.Box 1040, Shaqra, Saudi Arabia.
Tahira RubyInstitute of Zoology, Bahaudin Zakariya University Multan, Multan, 60800, Pakistan.
Hafiz Kashif MahmoodInstitute of Zoology, Bahaudin Zakariya University Multan, Multan, 60800, Pakistan.
Islamia University of Bahawalpur · PKAl Ain University · AEBahauddin Zakariya University · PKBaqai Medical University · PKShaqra University · SA

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The study aimed to evaluate the potential of piperidine-based 2H chromen-2-one derivatives against targeted enzymes, i.e., cholinesterase's and monoamine oxidase enzymes. The compounds were divided into three groups, i.e., 4a-m ((3,4-dimethyl-7-((1-methylpiperidin-4-yl)oxy)-2H-chromen-2-one derivatives), 5a-e (3,4-dimethyl-7-((1-methypipridin-3-yl)methoxy)-2H-chromen-2-one derivatives), and 7a-b (7-(3-(3,4-dihydroisoquinolin-2(1H)-yl)propoxy)-3,4-dimethyl-2H-chromen-2-one derivatives) with slight difference in the basic structure. The comprehensive computational investigations were conducted including density functional theories studies (DFTs), 2D-QSAR studies, molecular docking, and molecular dynamics simulations. The QSAR equation revealed that the activity of selected chromen-2-one-based piperidine derivatives is being affected by the six descriptors, i.e., Nitrogens Count, SdssCcount, SssOE-Index, T-2-2-7, ChiV6chain, and SssCH2E-Index. These descriptor values were further used for the preparation of chromen-2-one based piperidine derivatives. Based on this, 83 new derivatives were created from 7 selected parent compounds. The QSAR model predicted their IC

Indexed as

Alzheimer DiseaseCholinesterase InhibitorsMolecular Docking SimulationMonoamine OxidaseMonoamine Oxidase InhibitorsPiperidinesQuantitative Structure-Activity RelationshipCholinesterasesDrug DesignHumansMolecular Dynamics SimulationCholinesterase InhibitorsCholinesterasesMonoamine OxidaseMonoamine Oxidase InhibitorspiperidinePiperidinesAcetylcholinesteraseADMET propertiesAlzheimer’s diseaseDensity functional theoryGastroplus, AutoDock toolsMolecular dockingMolecular operating environmentMonoamine oxidaseParkinson’s disease

Identifiers

PMID38165591
OpenAlexW4390492920

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.