Time-dependent conformational analysis of ALK5-lumican complex in presence of graphene and graphene oxide employing molecular dynamics and MMPBSA calculation.

Apoenzymes Chondroitin Sulfate Proteoglycans Graphite Keratan Sulfate Lumican Molecular Docking Simulation Molecular Dynamics Simulation
ALK5 MMPBSA calculation binding energy estimation binding specificity graphene graphene oxide lumican molecular dynamics wound healing

Journal

Journal of biomolecular structure & dynamics
ISSN: 1538-0254
Titre abrégé: J Biomol Struct Dyn
Pays: England
ID NLM: 8404176

Informations de publication

Date de publication:
08 2022
Historique:
pubmed: 29 1 2021
medline: 22 7 2022
entrez: 28 1 2021
Statut: ppublish

Résumé

Lumican, an extracellular matrix protein avails wound healing by binding to ALK5 membrane receptor (TGF-beta receptor I). Their interaction enables epithelialization and substantiates rejuvenation of injured tissue. To enrich permanence of ALK5-lumican interaction, we employed graphene and graphene oxide co-factors. Herein, this study explicates concomitancy of graphene and graphene oxide with ALK5-lumican. We performed an

Identifiants

DOI: 10.1080/07391102.2021.1876772 PMID: 33507126
pubmed: 33507126
doi: 10.1080/07391102.2021.1876772
doi:

Substances chimiques

Apoenzymes 0
Chondroitin Sulfate Proteoglycans 0
Lumican 0
graphene oxide 0
Graphite 7782-42-5
Keratan Sulfate 9056-36-4

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

5932-5955

Auteurs

Sindhiya Sridharan (S)

Department of Nanotechnology, SRM Institute of Science and Technology, Chengalpattu, Tamil Nadu, India.

Santhosh Kumar Nagarajan (SK)

Department of Genetic Engineering, SRM Institute of Science and Technology, Chengalpattu, Tamil Nadu, India.
ORCID: 0000-0002-5123-0290

Kathirvel Venugopal (K)

Department of Physics and Nanotechnology, SRM Institute of Science and Technology, Chengalpattu, Tamil Nadu, India.

G Devanand Venkatasubbu (GD)

Department of Nanotechnology, SRM Institute of Science and Technology, Chengalpattu, Tamil Nadu, India.

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Classifications MeSH

questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Apoprotéines › Apoenzymes › Time-dependent conformational analysis of...
questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Glycoprotéines › Protéoglycanes › Protéoglycanes à chondroïtine sulfate › Time-dependent conformational analysis of...
questionsmedicales.fr › Produits chimiques inorganiques › Minéraux › Graphite › Time-dependent conformational analysis of...
questionsmedicales.fr › Glucides › Polyosides › Glycosaminoglycanes › Kératane sulfate › Time-dependent conformational analysis of...
questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Scléroprotéines › Protéines de la matrice extracellulaire › Petits protéoglycanes riches en leucine › Lumicane › Time-dependent conformational analysis of...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de docking moléculaire › Time-dependent conformational analysis of...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de dynamique moléculaire › Time-dependent conformational analysis of...