Pharmacophore Modelling and 4D-QSAR Study of Ruthenium(II) Arene Complexes as Anticancer Agents (Inhibitors) by Electron Conformational-Genetic Algorithm Method

Yavuz S., Sabanci N., SARIPINAR E.

CURRENT COMPUTER-AIDED DRUG DESIGN, vol.14, no.1, pp.79-94, 2018 (SCI-Expanded) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 14 Issue: 1
  • Publication Date: 2018
  • Doi Number: 10.2174/1573409913666170529103206
  • Journal Name: CURRENT COMPUTER-AIDED DRUG DESIGN
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.79-94
  • Keywords: 4D-QSAR, ruthenium(II) arene complexes, pharmacophore, electron conformational-genetic algorithm method, BIOACTIVITY PREDICTION, CORRELATION-COEFFICIENT, IDENTIFICATION, QSAR, DERIVATIVES, VALIDATION, THIOSEMICARBAZONE, EVALUATE, PROPOSAL, LIGANDS
  • Erciyes University Affiliated: Yes

Abstract

Objective: The EC-GA method was employed in this study as a 4D-QSAR method, for the identification of the pharmacophore (Pha) of ruthenium(II) arene complex derivatives and quantitative prediction of activity.