Computational Protein-Protein Docking Reveals the Therapeutic Potential of Kunitz-type Venom against hKv1.2 Binding Sites.
Animals
Binding Sites
/ drug effects
Humans
Kv1.2 Potassium Channel
/ antagonists & inhibitors
Ligands
Molecular Docking Simulation
Molecular Structure
Protein Interaction Domains and Motifs
/ drug effects
Protein Interaction Mapping
Rats
Serine Proteinase Inhibitors
/ pharmacology
Venoms
/ pharmacology
CS alpha/beta fold
Kunitz-type venoms
autoimmune
docking
human Kv1.2
metabolic.
Journal
CNS & neurological disorders drug targets
ISSN: 1996-3181
Titre abrégé: CNS Neurol Disord Drug Targets
Pays: United Arab Emirates
ID NLM: 101269155
Informations de publication
Date de publication:
2019
2019
Historique:
received:
11
10
2018
revised:
13
12
2018
accepted:
05
03
2019
pubmed:
21
3
2019
medline:
29
9
2020
entrez:
21
3
2019
Statut:
ppublish
Résumé
Kunitz-type venoms are bioactive proteins isolated from a wide variety of venomous animals. These venoms are involved in protease inhibitory activity or potassium channel blocking activity. Therefore, they are reported as an important source for lead drug candidates towards protease or channel associated diseases like neurological, metabolic and cardiovascular disorders. This study aimed to check the inhibitory action of Kunitz-type venoms against potassium channels using computational tools. Among potassium channels, Human Voltage-Gated Potassium Channel 1.2 (hKv1.2) was used as a receptor whereas Kunitz-type peptides from the venoms of various species were selected as ligand dataset. This study helped in finding the binding interface between the receptor and ligand dataset for their potential therapeutic use in treating potassium channelopathies.
Sections du résumé
BACKGROUND & OBJECTIVE
Kunitz-type venoms are bioactive proteins isolated from a wide variety of venomous animals. These venoms are involved in protease inhibitory activity or potassium channel blocking activity. Therefore, they are reported as an important source for lead drug candidates towards protease or channel associated diseases like neurological, metabolic and cardiovascular disorders.
METHODS
This study aimed to check the inhibitory action of Kunitz-type venoms against potassium channels using computational tools.
RESULTS
Among potassium channels, Human Voltage-Gated Potassium Channel 1.2 (hKv1.2) was used as a receptor whereas Kunitz-type peptides from the venoms of various species were selected as ligand dataset.
CONCLUSION
This study helped in finding the binding interface between the receptor and ligand dataset for their potential therapeutic use in treating potassium channelopathies.
Identifiants
pubmed: 30892167
pii: CNSNDDT-EPUB-97423
doi: 10.2174/1871527318666190319140204
doi:
Substances chimiques
Kv1.2 Potassium Channel
0
Ligands
0
Serine Proteinase Inhibitors
0
Venoms
0
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
382-404Informations de copyright
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