Human acetylcholinesterase inhibitors: Electronic-topological and neural network approaches to the structure-activity relationships study


Kandemirli F., Saracoglu M., Kovalishyn V.

MINI-REVIEWS IN MEDICINAL CHEMISTRY, cilt.5, ss.479-487, 2005 (SCI İndekslerine Giren Dergi) identifier identifier identifier

  • Cilt numarası: 5 Konu: 5
  • Basım Tarihi: 2005
  • Doi Numarası: 10.2174/1389557053765529
  • Dergi Adı: MINI-REVIEWS IN MEDICINAL CHEMISTRY
  • Sayfa Sayıları: ss.479-487

Özet

The Electronic-Topological (ETM) and Neural Network methods were applied to the study of the "structure-acetylcholinesterase (AChE) inhibitor activity" relationships for a series of physostigmine and N-benzylpiperidine derivatives. Molecular fragments specific for active compounds and breaks of activity were calculated for human AChE by applying the ETM and Neural Network methods. Requirements necessary for a compound to be active were formulated; they are the result of detailed analysis of all compounds under study. A comparative study of the activity features found for human AChE was performed.