The Adapted POM Analysis of Avenanthramides In Silico.

MOLINSPIRATION OSIRIS POM analysis Swiss-ADME avenanthramides bioactivity

Journal

Pharmaceuticals (Basel, Switzerland)
ISSN: 1424-8247
Titre abrégé: Pharmaceuticals (Basel)
Pays: Switzerland
ID NLM: 101238453

Informations de publication

Date de publication:
09 May 2023
Historique:
received: 20 04 2023
revised: 05 05 2023
accepted: 07 05 2023
medline: 27 5 2023
pubmed: 27 5 2023
entrez: 27 5 2023
Statut: epublish

Résumé

POM analysis and related approaches are significant tools based on calculating various physico-chemical properties and predicting biological activity, ADME parameters, and toxicity of a molecule. These methods are used to evaluate a molecule's potential to become a drug candidate. Avenanthramides (AVNs) are promising secondary metabolites specific to

Identifiants

pubmed: 37242500
pii: ph16050717
doi: 10.3390/ph16050717
pmc: PMC10224542
pii:
doi:

Types de publication

Journal Article

Langues

eng

Subventions

Organisme : Slovak Research and Development Agency
ID : SRDA-20-0413

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Auteurs

Tibor Maliar (T)

Department of Chemistry, Faculty of Natural Sciences, University of Ss. Cyril and Methodius in Trnava, Námestie J. Herdu 2, 917 01 Trnava, Slovakia.

Mária Maliarová (M)

Department of Chemistry, Faculty of Natural Sciences, University of Ss. Cyril and Methodius in Trnava, Námestie J. Herdu 2, 917 01 Trnava, Slovakia.

Andrea Purdešová (A)

Department of Chemistry, Faculty of Natural Sciences, University of Ss. Cyril and Methodius in Trnava, Námestie J. Herdu 2, 917 01 Trnava, Slovakia.

Timotej Jankech (T)

Institute of Neuroimmunology, Slovak Academy of Sciences, Dúbravská Cesta 9, 845 10 Bratislava, Slovakia.
Department of Analytical Chemistry, Faculty of Natural Sciences, Comenius University in Bratislava, Mlynská Dolina, Ilkovičova 6, 842 15 Bratislava, Slovakia.

Ivana Gerhardtová (I)

Institute of Neuroimmunology, Slovak Academy of Sciences, Dúbravská Cesta 9, 845 10 Bratislava, Slovakia.
Department of Analytical Chemistry, Faculty of Natural Sciences, Comenius University in Bratislava, Mlynská Dolina, Ilkovičova 6, 842 15 Bratislava, Slovakia.

Patrik Beňovič (P)

Department of Chemistry, Faculty of Natural Sciences, University of Ss. Cyril and Methodius in Trnava, Námestie J. Herdu 2, 917 01 Trnava, Slovakia.

Václav Dvořáček (V)

Crop Research Institute, Drnovská 507/73, 161 06 Prague, Czech Republic.

Michal Jágr (M)

Crop Research Institute, Drnovská 507/73, 161 06 Prague, Czech Republic.

Jana Viskupičová (J)

Centre of Experimental Medicine SAS, Institute of Experimental Pharmacology and Toxicology, Slovak Academy of Sciences, Dúbravská Cesta 9, 841 04 Bratislava, Slovakia.

Classifications MeSH