Cyanide Hydratase Modification Using Computational Design and Docking Analysis for Improved Binding Affinity in Cyanide Detoxification.

Narges Malmir, Najaf Allahyari Fard, Yamkela Mgwatyu, Lukhanyo Mekuto

Open access · goldAbstract read

In one paragraph

Article in Molecules (Basel, Switzerland), 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

1.3field-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, 7 citations in OpenAlex.

Cyanide Biodegradation byMolecules (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

4 authors at 2 institutions in 2 countries.

Narges MalmirNational Institute of Genetic Engineering and Biotechnology (NIGEB), Shahrak-e Pajoohesh km 15, Tehran-Karaj Highway, Tehran 14965/161, Iran.

Najaf Allahyari FardNational Institute of Genetic Engineering and Biotechnology (NIGEB), Shahrak-e Pajoohesh km 15, Tehran-Karaj Highway, Tehran 14965/161, Iran.ORCID 0000-0001-7590-5179

Yamkela MgwatyuDepartment of Chemical Engineering, University of Johannesburg, Doornfontein, Johannesburg 2094, South Africa.ORCID 0000-0003-4855-3395

Lukhanyo MekutoDepartment of Chemical Engineering, University of Johannesburg, Doornfontein, Johannesburg 2094, South Africa.ORCID 0000-0003-3069-4624

National Institute of Genetic Engineering and Biotechnology · IRUniversity of Johannesburg · ZA

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Cyanide is a hazardous and detrimental chemical that causes the inactivation of the respiration system through the inactivation of cytochrome c oxidase. Because of the limitation in the number of cyanide-degrading enzymes, there is a great demand to design and introduce new enzymes with better functionality. This study developed an integrated method of protein-homology-modelling and ligand-docking protein-design approaches that reconstructs a better active site from cyanide hydratase (CHT) structure. Designing a mutant CHT (mCHT) can improve the CHT performance. A computational design procedure that focuses on mutation for constructing a new model of cyanide hydratase with better activity was used. In fact, this study predicted the three-dimensional (3D) structure of CHT for subsequent analysis. Inducing mutation on CHT of

Indexed as

Molecular Docking SimulationAmino Acid SubstitutionCyanidesFungal ProteinsHydro-LyasesHypocrealesMutation, Missensecyanide hydrataseCyanidesFungal ProteinsHydro-Lyasescyanidecyanide hydratase (CHT)docking analysismutationprotein engineeringTrichoderma harzianum

Identifiers

PMID33806828

DOI10.3390/molecules26061799

PMCPMC8004973

OpenAlexW3142100608

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.