A new proposed model of aldose reductase enzyme inhibition on the basis of an artificial intelligence approach: A computer automated structure evaluation (case) study |
| |
Authors: | Erdem Buyukbingol Gilles Klopman |
| |
Institution: | (1) Department of Medicinal Chemistry, Faculty of Pharmacy, Ankara University, Tandogan, 06100 Ankara, Turkey;(2) Case Western Reserve University, Department of Chemistry, 44106 Cleveland, OH, USA |
| |
Abstract: | 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. |
| |
Keywords: | |
本文献已被 SpringerLink 等数据库收录! |
|