Cheng, Kai; Li, Shiyu; Lv, Xiao; Tian, Yongbin; Kong, Haiyan; Huang, Xufeng; Duan, Yajun; Han, Jihong; Xie, Zhouling; Liao, Chenzhong published the artcile< Design, synthesis and biological evaluation of novel human monoamine oxidase B inhibitors based on a fragment in an X-ray crystal structure>, HPLC of Formula: 30095-98-8, the main research area is isatin monoamine oxidase B; Fragment-based drug design; Isatin; Isoform selectivity; Structure activity relationship; hMAO-B.
Herein we report our efforts of developing reversible selective hMAO-B inhibitors based on isatin, a fragment in an X-ray crystal structure. Five different scaffolds were designed and many compounds were synthesized. Among them, compound A3(I) demonstrated very high potency and isoform selectivity against hMAO-B, 11 and 13 times more potent (IC50 = 3 nM) and 23.64 and 6.8 times more selective than the marked drugs, selegiline and safinamide. However, the endeavors to modify the polar 3-one group of isatin, that is in a hydrophobic environment in the binding site of hMAO-B, to small nonpolar hydrophobic groups did not bring about improved hMAO-B inhibitors, which may challenge our understanding of mol. interactions and mol. recognition in biol. systems.
Bioorganic & Medicinal Chemistry Letters published new progress about Homo sapiens. 30095-98-8 belongs to class esters-buliding-blocks, and the molecular formula is C9H9NO4, HPLC of Formula: 30095-98-8.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics