Synthesis and molecular docking study of ethyl piperidine-1-carboxylate derivative Schiff bases

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Aytaç S.

Organic Communications, cilt.18, sa.1, ss.28-37, 2025 (ESCI, Scopus) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 18 Sayı: 1
  • Basım Tarihi: 2025
  • Doi Numarası: 10.25135/acg.oc.182.2503.3450
  • Dergi Adı: Organic Communications
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus, Academic Search Premier
  • Sayfa Sayıları: ss.28-37
  • Anahtar Kelimeler: donepezil, green chemistry, microwave, molecular docking, Schiff base, tacrine
  • Açık Arşiv Koleksiyonu: AVESİS Açık Erişim Koleksiyonu
  • Atatürk Üniversitesi Adresli: Hayır

Özet

In the present study, new Schiff bases (14-16) were obtained from the condensation reaction of Ethyl 4- aminopiperidine-1-carboxylate and 2/3/4-pyridine carboxyaldehyde compounds. Desired compounds were successfully synthesized with high yields in a short time. Chemical characterization (1H-NMR, 13C-NMR and elemental analysis) and molecular docking studies of the synthesized compounds were performed against the 7XN1 structure (human acetylcholinesterase in complex with tacrine) and reference drug (Donepezil and Tacrine). It was determined that compound 16 (-7.52) had higher binding energy than Tacrine (-7.48), and compounds 14 (- 7.34) and 15 (-7.41) showed values close to Tacrine (-7.48). The synthesized compounds can be potent inhibitors for hAChE.