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Computational studies of snake venom toxins

dc.contributor.authorOjeda P.G.
dc.contributor.authorRamírez D.
dc.contributor.authorAlzate-Morales J.
dc.contributor.authorCaballero J.
dc.contributor.authorKaas Q.
dc.contributor.authorGonzález W.
dc.date.accessioned2020-09-02T22:24:40Z
dc.date.available2020-09-02T22:24:40Z
dc.date.issued2018
dc.identifier10.3390/toxins10010008
dc.identifier.citation10, 1, -
dc.identifier.issn20726651
dc.identifier.urihttps://hdl.handle.net/20.500.12728/5596
dc.descriptionMost snake venom toxins are proteins, and participate to envenomation through a diverse array of bioactivities, such as bleeding, inflammation, and pain, cytotoxic, cardiotoxic or neurotoxic effects. The venom of a single snake species contains hundreds of toxins, and the venoms of the 725 species of venomous snakes represent a large pool of potentially bioactive proteins. Despite considerable discovery efforts, most of the snake venom toxins are still uncharacterized. Modern bioinformatics tools have been recently developed to mine snake venoms, helping focus experimental research on the most potentially interesting toxins. Some computational techniques predict toxin molecular targets, and the binding mode to these targets. This review gives an overview of current knowledge on the ~2200 sequences, and more than 400 three-dimensional structures of snake toxins deposited in public repositories, as well as of molecular modeling studies of the interaction between these toxins and their molecular targets. We also describe how modern bioinformatics have been used to study the snake venom protein phospholipase A2, the small basic myotoxin Crotamine, and the three-finger peptide Mambalgin. © 2017 by the authors. Licensee MDPI, Basel, Switzerland.
dc.language.isoen
dc.publisherMDPI AG
dc.subjectDatabases
dc.subjectMolecular dynamics simulations
dc.subjectMolecular modeling
dc.subjectProteomics
dc.subjectSnake peptides
dc.subjectcomplementary DNA
dc.subjectcrotamine
dc.subjectepidermal growth factor receptor
dc.subjectmetalloproteinase
dc.subjectpeptide
dc.subjectphospholipase A2
dc.subjectserine proteinase
dc.subjectsnake venom
dc.subjecttoxin
dc.subjectvasculotropin
dc.subjectsnake venom
dc.subjectbinding affinity
dc.subjectcell specificity
dc.subjectcomputer simulation
dc.subjectcrystal structure
dc.subjectdisulfide bond
dc.subjectenvenomation
dc.subjectexpressed sequence tag
dc.subjectmolecular dynamics
dc.subjectmolecular model
dc.subjectnext generation sequencing
dc.subjectnonhuman
dc.subjectnuclear magnetic resonance imaging
dc.subjectprotein family
dc.subjectprotein motif
dc.subjectproteomics
dc.subjectReview
dc.subjectsequence analysis
dc.subjectsequence homology
dc.subjectstructural bioinformatics
dc.subjectstructure activity relation
dc.subjecttranscriptomics
dc.subjectultra performance liquid chromatography
dc.subjectX ray crystallography
dc.subjectanimal
dc.subjectbiology
dc.subjectchemistry
dc.subjecthuman
dc.subjectAnimals
dc.subjectComputational Biology
dc.subjectHumans
dc.subjectSnake Venoms
dc.titleComputational studies of snake venom toxins
dc.typeReview


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