Structural analysis of peptides that fill sites near the active center of the two different enzyme molecules by artificial intelligence and computer simulations

Structural analysis of peptides that fill sites near the active center of the two different enzyme molecules by artificial intelligence and computer simulations

Using artificial intelligence, the binding styles of 167 tetrapeptides were predicted in the active site of papain and cathepsin K. Five tetrapeptides (Asn–Leu–Lys–Trp, Asp–Gln–Trp–Gly, Cys–Gln–Leu–Arg, Gln–Leu–Trp–Thr and Arg–Ser–Glu–Arg) were found to bind sites near the active center of both papa...

Full description

Bibliographic Details
Main Author: Katsuhiko Nishiyama
Format: Article
Language:English
Published: AIP Publishing LLC 2018-05-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/1.5033471
id doaj-62f58b3cbc4445b782f07f6fc77e06b8
record_format Article
spelling doaj-62f58b3cbc4445b782f07f6fc77e06b82020-11-24T22:09:46ZengAIP Publishing LLCAIP Advances2158-32262018-05-0185055133055133-610.1063/1.5033471115805ADVStructural analysis of peptides that fill sites near the active center of the two different enzyme molecules by artificial intelligence and computer simulationsKatsuhiko Nishiyama0National Institute of Technology, Tsuruoka College, 104 Sawada, Inooka, Tsuruoka, Yamagata 997-8511, JapanUsing artificial intelligence, the binding styles of 167 tetrapeptides were predicted in the active site of papain and cathepsin K. Five tetrapeptides (Asn–Leu–Lys–Trp, Asp–Gln–Trp–Gly, Cys–Gln–Leu–Arg, Gln–Leu–Trp–Thr and Arg–Ser–Glu–Arg) were found to bind sites near the active center of both papain and cathepsin K. These five tetrapeptides have the potential to also bind sites of other cysteine proteases, and structural characteristics of these tetrapeptides should aid the design of a common inhibitor of cysteine proteases. Smart application of artificial intelligence should accelerate data mining of important complex systems.http://dx.doi.org/10.1063/1.5033471
collection DOAJ
language English
format Article
sources DOAJ
author Katsuhiko Nishiyama
spellingShingle Katsuhiko Nishiyama
Structural analysis of peptides that fill sites near the active center of the two different enzyme molecules by artificial intelligence and computer simulations
AIP Advances
author_facet Katsuhiko Nishiyama
author_sort Katsuhiko Nishiyama
title Structural analysis of peptides that fill sites near the active center of the two different enzyme molecules by artificial intelligence and computer simulations
title_short Structural analysis of peptides that fill sites near the active center of the two different enzyme molecules by artificial intelligence and computer simulations
title_full Structural analysis of peptides that fill sites near the active center of the two different enzyme molecules by artificial intelligence and computer simulations
title_fullStr Structural analysis of peptides that fill sites near the active center of the two different enzyme molecules by artificial intelligence and computer simulations
title_full_unstemmed Structural analysis of peptides that fill sites near the active center of the two different enzyme molecules by artificial intelligence and computer simulations
title_sort structural analysis of peptides that fill sites near the active center of the two different enzyme molecules by artificial intelligence and computer simulations
publisher AIP Publishing LLC
series AIP Advances
issn 2158-3226
publishDate 2018-05-01
description Using artificial intelligence, the binding styles of 167 tetrapeptides were predicted in the active site of papain and cathepsin K. Five tetrapeptides (Asn–Leu–Lys–Trp, Asp–Gln–Trp–Gly, Cys–Gln–Leu–Arg, Gln–Leu–Trp–Thr and Arg–Ser–Glu–Arg) were found to bind sites near the active center of both papain and cathepsin K. These five tetrapeptides have the potential to also bind sites of other cysteine proteases, and structural characteristics of these tetrapeptides should aid the design of a common inhibitor of cysteine proteases. Smart application of artificial intelligence should accelerate data mining of important complex systems.
url http://dx.doi.org/10.1063/1.5033471
work_keys_str_mv AT katsuhikonishiyama structuralanalysisofpeptidesthatfillsitesneartheactivecenterofthetwodifferentenzymemoleculesbyartificialintelligenceandcomputersimulations
_version_ 1725810804557611008

Similar Items