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

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Kandemirli F., Saracoglu M., Kovalishyn V.

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

  • Yayın Türü: Makale / Derleme
  • Cilt numarası: 5
  • Basım Tarihi: 2005
  • Doi Numarası: 10.2174/1389557053765529
  • Dergi Adı: MINI-REVIEWS IN MEDICINAL CHEMISTRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.479-487
  • Anahtar Kelimeler: human AChE inhibitors, electronic topological method, neural network method, MOLECULAR-FIELD ANALYSIS, SELECTIVE INHIBITORS, POTENT, SERIES, QSAR
  • Erciyes Üniversitesi Adresli: Evet

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.

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 Nbenzylpiperidine 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