Revealing the role of fluorine pharmacophore in chalcone scaffold for shifting the MAO-B selectivity: investigation of a detailed molecular dynamics and quantum chemical study.
第一作者:
Fisayo A,Olotu
第一单位:
Molecular Bio-computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Durban, South Africa.
作者:
主题词
催化域(Catalytic Domain);查耳酮(Chalcone);查耳酮类(Chalcones);氟(Fluorine);分子动力学模拟(Molecular Dynamics Simulation);单胺氧化酶(Monoamine Oxidase);单胺氧化酶抑制剂(Monoamine Oxidase Inhibitors);构效关系(Structure-Activity Relationship)
DOI
10.1080/07391102.2020.1796803
PMID
32705963
发布时间
2021-10-21
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