Your browser doesn't support javascript.
loading
Cupressus sempervirens L. flavonoids as potent inhibitors to xanthine oxidase: in vitro, molecular docking, ADMET and PASS studies.
Linani, Abderahmane; Serseg, Talia; Benarous, Khedidja; Bou-Salah, Leila; Yousfi, Mohamed; Alama, Mohammed Nabil; Ashraf, Ghulam Md.
Afiliação
  • Linani A; Fundamental sciences laboratory, Amar Telidji University, Laghouat, Algeria.
  • Serseg T; Fundamental sciences laboratory, Amar Telidji University, Laghouat, Algeria.
  • Benarous K; Fundamental sciences laboratory, Amar Telidji University, Laghouat, Algeria.
  • Bou-Salah L; Biology department, Amar Telidji University, Laghouat, Algeria.
  • Yousfi M; Fundamental sciences laboratory, Amar Telidji University, Laghouat, Algeria.
  • Alama MN; Fundamental sciences laboratory, Amar Telidji University, Laghouat, Algeria.
  • Ashraf GM; Department of Cardiology, Faculty of Medicine, King Abdulaziz University Hospital, Jeddah, Saudi Arabia.
J Biomol Struct Dyn ; 41(15): 7055-7068, 2023.
Article em En | MEDLINE | ID: mdl-36001586
Excessive intake of purine-rich foods such as seafood and red meat leads to excess xanthine oxidase activity and provokes gout attacks. The aim of this paper is to evaluate in vitro and in silico, the inhibition effect of Cupressus sempervirens plant extracts (flavonoids (Cae) and alkaloids (CaK)) and its six derivative compounds on bovine xanthine oxidase (BXO). The in silico study consists of molecular docking with GOLD v4.0 based on the best PLPchem score (PLP) and prediction of biological activity with the PASS server tool. The inhibitors used were lignan (cp1), Amentoflavone (cp2), Cupressuflavone (cp3), Isocryptomerin (cp4), Hinokiflavone (cp5), and Neolignan (cp6). The in vitro results showed that CaK gives an IC50 of 3.52 ± 0.04 µg/ml. Similarly, Cae saved an IC50 of 8.46 ± 1.98 µg/ml compared with the control (2.82 ± 0.10 µg/ml). The in silico results show that cp1 was the best inhibitor model (PLP of 88.09) with approved pharmacokinetics. These findings suggest that cp1 and cp2 may offer good alternatives for the treatment of hyperuricemia; cp3 was moderate, while the others (cp4 to cp6) were considered weak inhibitors according to their PLP.Communicated by Ramaswamy H. Sarma.
Palavras-chave

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Revista: J Biomol Struct Dyn Ano de publicação: 2023 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Revista: J Biomol Struct Dyn Ano de publicação: 2023 Tipo de documento: Article