Identifying inflammation-related targets of natural lactones using network pharmacology, molecular modeling and in vitro approaches.
J Biomol Struct Dyn
; : 1-16, 2024 Feb 09.
Article
em En
| MEDLINE
| ID: mdl-38334283
ABSTRACT
Natural lactones have been used in traditional and folklore medicine for centuries owing to their anti-inflammatory properties. The study uses a multifaceted approach to identify lead anti-inflammatory lactones from the SISTEMATX natural products database. The study analyzed the natural lactone database, revealing 18 lactones linked to inflammation targets. The primary targets were PTGES, PTGS1, COX-2, ALOX5 and IL1B. STX 12273 was the best hit, with the lowest binding energy and potential for inhibiting the COX-2 enzyme. The study suggested natural lactone, STX 12273, from the SISTEMATX database with anti-inflammatory potential and postulated its use for inflammation treatment or prevention.Communicated by Ramaswamy H. Sarma.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
J Biomol Struct Dyn
Ano de publicação:
2024
Tipo de documento:
Article