A NEW PROPOSED MODEL OF ALDOSE REDUCTASE ENZYME-INHIBITION ON THE BASIS OF AN ARTIFICIAL-INTELLIGENCE APPROACH - A COMPUTER AUTOMATED STRUCTURE EVALUATION (CASE) STUDY

BUYUKBINGOL E., KLOPMAN G.

JOURNAL OF MATHEMATICAL CHEMISTRY, cilt.8, sa.1-3, ss.195-205, 1991 (SCI-Expanded, Scopus) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 8 Sayı: 1-3
  • Basım Tarihi: 1991
  • Doi Numarası: 10.1007/bf01166936
  • Dergi Adı: JOURNAL OF MATHEMATICAL CHEMISTRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.195-205
  • Ankara Üniversitesi Adresli: Hayır

Özet

A large number of inhibitors of aldose reductase enzyme were submitted to the CASE (computer automated structure evaluation) program in order to ascertain the topological features relevant to activity. On the basis of the twenty-six biophores (activating fragments) and one biophobe (inactivating fragment), a new proposed interaction model was suggested for an aldose reductase enzyme with the chemical inhibitors. The critical relationship between enzyme inhibition and the structure of inhibitors is believed to depend on the relative positions of subordinate regions within the inhibitor structure.