Login / Signup

Synthesis and in vitro Activity of Eugenyl Benzoate Derivatives as BCL-2 Inhibitor in Colorectal Cancer with QSAR and Molecular Docking Approach.

Fadilah FadilahRetnosari AndrajatiAde ArsiantiRafika Indah ParamitaLinda ErlinaKhaerunissa Anbar IstiadiArry Yanuar
Published in: Asian Pacific journal of cancer prevention : APJCP (2023)
The active compound (9) given best activities as BCL-2 inhibitors than other eugenol derivatives. QSAR indicates the logP and CMR have effect on its colorectal cytotoxic activity which the hydrophobicity parameter (logP) plays more role than the steric parameter (CMR).
Keyphrases
  • molecular docking
  • molecular dynamics simulations
  • structure activity relationship
  • molecular dynamics