Molecular modeling, simulation and principal component analysis of binding of resveratrol and its analogues with DNA.

Binding Sites DNA Molecular Docking Simulation Molecular Dynamics Simulation Principal Component Analysis Resveratrol
Autodock Resveratrol analogues molecular docking molecular dynamics

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:
Jul 2020
Historique:
pubmed: 4 9 2019
medline: 22 6 2021
entrez: 4 9 2019
Statut: ppublish

Résumé

Structure-based drug designing has become a significant subject of research, and several clinically promising DNA binding compounds were evolved using this technique. The interaction of an octamer DNA sequence d(CCAATTGG)

Identifiants

DOI: 10.1080/07391102.2019.1662849 PMID: 31476951
pubmed: 31476951
doi: 10.1080/07391102.2019.1662849
doi:

Substances chimiques

DNA 9007-49-2
Resveratrol Q369O8926L

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

3087-3097

Auteurs

Maya S Nair (MS)

Department of Biotechnology, Indian Institute of Technology Roorkee, Roorkee, India.

Aishwarya Shukla (A)

Department of Biotechnology, Indian Institute of Technology Roorkee, Roorkee, India.

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Classifications MeSH

questionsmedicales.fr › Phénomènes chimiques › Phénomènes biochimiques › Sites de fixation › Molecular modeling, simulation and principal...
questionsmedicales.fr › Acides nucléiques, nucléotides et nucléosides › Acides nucléiques › ADN › Molecular modeling, simulation and principal...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de docking moléculaire › Molecular modeling, simulation and principal...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de dynamique moléculaire › Molecular modeling, simulation and principal...
questionsmedicales.fr › Techniques d'investigation › Analyse en composantes principales › Molecular modeling, simulation and principal...
questionsmedicales.fr › Composés chimiques organiques › Hydrocarbures › Hydrocarbures cycliques › Hydrocarbures aromatiques › Dérivés du benzène › Phénols › Polyphénols › Resvératrol › Molecular modeling, simulation and principal...