Evidence map›Paper›PMID 30832207›Full record

ReviewMarine drugs2019

Snails In Silico: A Review of Computational Studies on the Conopeptides.

Rachael A Mansbach, Timothy Travers, Benjamin H McMahon, Jeanne M Fair, S Gnanakaran

Abstract readReview
In one paragraph

Review in Marine drugs, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.

0numbers the graph read from it
0cells of the map it votes in
17citing 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

17 citing papers in PubMed.

  1. Review
  2. Article
  3. Article
  4. In Silico Conotoxin Studies: Progress and Prospects.Molecules (Basel, Switzerland) · 2024
    Review
  5. Article
  6. Article
  7. Review
  8. Cone snail species off the Brazilian coast and their venoms: a review and update.The journal of venomous animals and toxins including tropical diseases · 2023
    Review
  9. Article
  10. Article
  11. Article
  12. Article
  13. ConoMode, a database for conopeptide binding modes.Database : the journal of biological databases and curation · 2020
    Article
  14. Article
  15. Article
  16. Article
  17. 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

5 authors.

Rachael A MansbachTheoretical Biology and Biophysics Group, Los Alamos National Laboratory, Los Alamos, NM 87545, USA. mansbach@lanl.gov.ORCID 0000-0002-6738-1261
Timothy TraversTheoretical Biology and Biophysics Group, Los Alamos National Laboratory, Los Alamos, NM 87545, USA. tstravers@lanl.gov.ORCID 0000-0003-0105-3844
Benjamin H McMahonTheoretical Biology and Biophysics Group, Los Alamos National Laboratory, Los Alamos, NM 87545, USA. mcmahon@lanl.gov.ORCID 0000-0002-8226-1276
Jeanne M FairBiosecurity and Public Health Group, Los Alamos National Laboratory, Los Alamos, NM 87545, USA. jmfair@lanl.gov.ORCID 0000-0002-3377-6134
S GnanakaranTheoretical Biology and Biophysics Group, Los Alamos National Laboratory, Los Alamos, NM 87545, USA. gnana@lanl.gov.ORCID 0000-0002-9368-3044

Funding

Intelligence Advanced Research Projects Activity Fun-GCATU.S. Department of Energy 89233218CNA000001
6 · The paper itself

Abstract

Marine cone snails are carnivorous gastropods that use peptide toxins called conopeptides both as a defense mechanism and as a means to immobilize and kill their prey. These peptide toxins exhibit a large chemical diversity that enables exquisite specificity and potency for target receptor proteins. This diversity arises in terms of variations both in amino acid sequence and length, and in posttranslational modifications, particularly the formation of multiple disulfide linkages. Most of the functionally characterized conopeptides target ion channels of animal nervous systems, which has led to research on their therapeutic applications. Many facets of the underlying molecular mechanisms responsible for the specificity and virulence of conopeptides, however, remain poorly understood. In this review, we will explore the chemical diversity of conopeptides from a computational perspective. First, we discuss current approaches used for classifying conopeptides. Next, we review different computational strategies that have been applied to understanding and predicting their structure and function, from machine learning techniques for predictive classification to docking studies and molecular dynamics simulations for molecular-level understanding. We then review recent novel computational approaches for rapid high-throughput screening and chemical design of conopeptides for particular applications. We close with an assessment of the state of the field, emphasizing important questions for future lines of inquiry.

Indexed as

Drug DesignAmino Acid SequenceAnimalsComputer SimulationConotoxinsConus SnailHigh-Throughput Screening AssaysIon ChannelsMachine LearningModels, MolecularProtein Processing, Post-TranslationalProtein Structure, QuaternaryStructure-Activity RelationshipTranscriptomeConotoxinsIon Channelscomputational studiesconopeptidesconotoxinsdockingdrug designion channelsmachine learningmolecular dynamicsreview

Identifiers

PMID30832207
PMCPMC6471681

What OpenQuestion holds

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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.