Evidence map›Paper›PMID 34360577›Full record

ArticleInternational journal of molecular sciences2021

In Silico Structural Modeling and Analysis of Interactions of

Olufunmilayo Olukemi Akapo, Joanna M Macnar, Justyna D Kryś, Puleng Rosinah Syed, Khajamohiddin Syed, Dominik Gront

Open access · goldAbstract read
In one paragraph

Article in International journal of molecular sciences, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing papers in PubMed
0.3field-weighted citation impact, top 39% 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

3 citing papers in PubMed, 5 citations in OpenAlex.

  1. Article
  2. Article
  3. Lack of Association between Fluconazole Susceptibility andJournal of fungi (Basel, Switzerland) · 2022
    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

6 authors at 4 institutions in 2 countries.

Olufunmilayo Olukemi AkapoDepartment of Biochemistry and Microbiology, Faculty of Science and Agriculture, University of Zululand, KwaDlangezwa 3886, South Africa.ORCID 0000-0003-1267-1576
Joanna M MacnarCollege of Inter-Faculty Individual Studies in Mathematics and Natural Sciences, University of Warsaw, Stefana Banacha 2C, 02-097 Warsaw, Poland.ORCID 0000-0003-1760-2668
Justyna D KryśBiological and Chemical Research Center, Faculty of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland.ORCID 0000-0002-5318-8831
Puleng Rosinah SyedDepartment of Pharmaceutical Chemistry, College of Health Sciences, University of KwaZulu-Natal, Durban 4000, South Africa.
Khajamohiddin SyedDepartment of Biochemistry and Microbiology, Faculty of Science and Agriculture, University of Zululand, KwaDlangezwa 3886, South Africa.ORCID 0000-0002-1497-3570
Dominik GrontBiological and Chemical Research Center, Faculty of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland.ORCID 0000-0002-2260-2083
University of Warsaw · PLUniversity of Zululand · ZACollege of Europe, Warsaw · PLUniversity of KwaZulu-Natal · ZA

Funding

National Research Foundation,South Africa 114159Polish National Science Centre (NCN) 2018/29/B/ST6/01989
6 · The paper itself

Abstract

Cytochrome P450 monooxygenase CYP51 (sterol 14α-demethylase) is a well-known target of the azole drug fluconazole for treating cryptococcosis, a life-threatening fungal infection in immune-compromised patients in poor countries. Studies indicate that mutations in CYP51 confer fluconazole resistance on cryptococcal species. Despite the importance of CYP51 in these species, few studies on the structural analysis of CYP51 and its interactions with different azole drugs have been reported. We therefore performed in silico structural analysis of 11 CYP51s from cryptococcal species and other

Indexed as

Amino AcidsAntifungal AgentsAzolesBasidiomycotaComputer SimulationCytochrome P-450 Enzyme SystemFluconazoleFungal ProteinsItraconazoleLigandsModels, MolecularPhylogenyProtein BindingProtein ConformationSubstrate SpecificityAmino AcidsAntifungal AgentsAzolesCytochrome P-450 Enzyme SystemFluconazoleFungal ProteinsItraconazoleLigandsCryptococcus neoformansCYP51cytochrome P450 monooxygenasesdockingdrug-resistancesterol 14α-demethylaseTremellomycetesweb-application

Identifiers

PMID34360577
PMCPMC8346148
OpenAlexW3183580265

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

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.