Evidence map›Paper›PMID 33015504›Full record

ArticleACS omega2020

Altering the Solubility of the Antibiotic Candidate Nisin-A Computational Study.

Preeti Pandey, Ulrich H E Hansmann, Feng Wang

Abstract read
In one paragraph

Article in ACS omega, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.

0numbers the graph read from it
0cells of the map it votes in
11citing 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

11 citing papers in PubMed.

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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

3 authors.

Preeti PandeyDepartment of Chemistry & Biochemistry, University of Oklahoma, Norman, Oklahoma 73019, United States.
Ulrich H E HansmannDepartment of Chemistry & Biochemistry, University of Oklahoma, Norman, Oklahoma 73019, United States.
Feng WangDepartment of Chemistry and Biochemistry, University of Arkansas, Fayetteville, Arkansas 72701, United States.

Funding

Efficient and Accurate Force Fields for Computer-Aided Drug DesignR01GM120578 · NIGMS · UNIVERSITY OF ARKANSAS AT FAYETTEVILLE · PI Feng Wang · 2017 to 2026
$1.9M
NIGMS NIH HHS R01 GM120578
6 · The paper itself

Abstract

The growing bacterial resistance to available antibiotics makes it necessary to look for new drug candidates. An example is the lanthionine-containing nisin, which has a broad spectrum of antimicrobial activity. While nisin is widely utilized as a food preservative, its poor solubility and low stability at physiological pH hinder its use as an antibiotic. As the solubility of nisin is controlled by the residues of the hinge region, we have performed molecular dynamics simulations of various mutants and studied their effects on nisin's solubility. These simulations are complicated by the presence of two uncommon residues (dehydroalanine and dehydrobutyrine) in the peptide. The primary goal of the present study is to derive rules for designing new mutants that will be more soluble at physiological pH and, therefore, may serve as a basis for the future antibiotic design. Another aim of our study is to evaluate whether existing force fields can model the solubility of these amino acids accurately in order to motivate further developments of force fields to account for solubility information.

Identifiers

PMID33015504
PMCPMC7528279

What OpenQuestion holds

Textmetadata
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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.