Jo, Geunhyeong Ahn, Seunghyun Kim, Bong-Gyu Park, Hye Ri Kim, Young Hwa Choo, Hyun Ah Koh, Dongsoo Chong, Youhoon Ahn, Joong-Hoon Lim, Yoongho 2024-01-20T11:01:05Z 2024-01-20T11:01:05Z 2021-09-04 2013-12-15 0968-0896 https://pubs.kist.re.kr/handle/201004/127332 Structure-activity relationship (SAR) calculations were used to find monoamine oxidase-B (MAO-B) inhibitors by identifying pharmacophores exhibiting high inhibitory activities. Several such chromenylchalcones were designed and synthesized accordingly. Their inhibitory effects on MAO-B were determined using an HPLC-based method and an MAO-B enzyme assay kit. (E)-3-(6-Methoxy-2H-chromen- 3-yl)-1-(2-methoxyphenyl) prop-2-en-1-one exhibited a half-maximal inhibitory concentration of 320 nM. Its molecular-level binding mode with the three-dimensional structure of MAO-B was elucidated using an in silico docking study. The chromenylchalcone scaffold, which is derived from natural products including isoflavonoids and chalcones, had not been previously reported as an MAO-B inhibitor. (C) 2013 Elsevier Ltd. All rights reserved. English PERGAMON-ELSEVIER SCIENCE LTD 3-DIMENSIONAL STRUCTURE DERIVATIVES MAO Chromenylchalcones with inhibitory effects on monoamine oxidase B Article 10.1016/j.bmc.2013.10.004 1 BIOORGANIC & MEDICINAL CHEMISTRY, v.21, no.24, pp.7890 - 7897 BIOORGANIC & MEDICINAL CHEMISTRY 21 24 7890 7897 scie scopus 000327766200035 2-s2.0-84888440201 Biochemistry & Molecular Biology Chemistry, Medicinal Chemistry, Organic Biochemistry & Molecular Biology Pharmacology & Pharmacy Chemistry Article 3-DIMENSIONAL STRUCTURE DERIVATIVES MAO Monoamine oxidase B Chromenylchalcone Flavonoid In silico docking