Monoamine oxidases are the crucial drug targets for the treatment of neurodegenerative disorders like depression, Parkinson’s disease, and Alzheimer’s disease. The enzymes catalyze the oxidative deamination of several monoamine containing neurotransmitters, i.e. serotonin (5-HT), melatonin, epinephrine, norepinephrine, phenylethylamine, benzylamine, dopamine, tyramine, etc. The oxidative reaction of monoamine oxidases results in the production of hydrogen peroxide that leads to the neurodegeneration process. Therefore, the inhibition of monoamine oxidases has shown a profound effect against neurodegenerative diseases. At present, the design and development of newer lead molecules for the inhibition of monoamine oxidases are under intensive research in the field of medicinal chemistry. Recently, the advancement in QSAR methodologies has shown considerable interest in the development of monoamine oxidase inhibitors. The present review describes the development of QSAR methodologies, and their role in the design of newer monoamine oxidase inhibitors. It will assist the medicinal chemist in the identification of selective and potent monoamine oxidase inhibitors from various chemical scaffolds.

单胺氧化酶是治疗神经退行性疾病（如抑郁症，帕金森氏病和阿尔茨海默氏病）的关键药物靶标。这些酶催化几种含单胺的神经递质的氧化脱氨反应，即5-羟色胺（5-HT），褪黑激素，肾上腺素，去甲肾上腺素，苯乙胺，苄胺，多巴胺，酪胺等。单胺氧化酶的氧化反应导致过氧化氢的产生导致神经变性过程。因此，单胺氧化酶的抑制已显示出对神经退行性疾病的深远影响。目前，用于抑制单胺氧化酶的新型先导分子的设计和开发正在药物化学领域中进行深入研究。最近，QSAR方法学的进步已显示出对开发单胺氧化酶抑制剂的浓厚兴趣。本文概述了QSAR方法的发展及其在新型单胺氧化酶抑制剂设计中的作用。它将帮助药用化学家从各种化学支架中鉴定选择性和有效的单胺氧化酶抑制剂。