Publication: Design, synthesis and biological evaluation of novel benzocoumarin derivatives as potent inhibitors of MAO-B activity
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Abstract
The continued research of novel reversible inhibitors targeting monoamine oxidase (MAO) B remains crucial for effectively symptomatic treatment of Parkinson\"s disease. In this study we synthesized and evaluated a new series of 3-aryl benzo[g] and benzo[h] coumarin derivatives as MAO-B inhibitors. Compound A6 has been found to display the most potent inhibitory activity and selectivity against the MAO-B isoform (IC50 = 13 nM and SI = >7693.31 respectively). Inhibition mode of A6 on MAO-B was predicted as mixed reversible inhibition with a Ki value of 3.274 nM. Furthermore, in order to elaborate structure–activity relationships, the binding mode of A6 was investigated by molecular docking simulations.
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Tıp, Yaşam Bilimleri, Biyoteknoloji, Moleküler Biyoloji ve Genetik, Sitogenetik, Kimya, Biyokimya, Biyoinorganik Kimya, Sağlık Bilimleri, Temel Bilimler, Medicine, Life Sciences, Biotechnology, Molecular Biology and Genetics, Cytogenetic, Chemistry, Biochemistry, Bioinorganic Chemistry, Health Sciences, Natural Sciences, Klinik Tıp (Med), Temel Bilimler (Sci), Yaşam Bilimleri (Life), Klinik Tıp, Moleküler Biyoloji Ve Genetik, Mikrobiyoloji, Tropikal Tıp, Kimya Organik, Biyokimya Ve Moleküler Biyoloji, Biyoteknoloji Ve Uygulamalı Mikrobiyoloji, Clinical Medicine (Med), Natural Sciences (Sci), Life Sciences (Life), Clinical Medicine, Molecular Biology & Genetics, Microbiology, Tropical Medicine, Chemistry Organic, Biochemistry & Molecular Biology, Biotechnology & Applied Microbiology, Moleküler Tıp, Moleküler Biyoloji, Farmasötik bilim, İlaç Keşfi, Klinik Biyokimya, Organik Kimya, Fizik Bilimleri, Molecular Medicine, Molecular Biology, Pharmaceutical Science, Drug Discovery, Clinical Biochemistry, Organic Chemistry, Physical Sciences, Benzo[g]coumarin, Benzo[h]coumarin, Molecular docking, Monoamine oxidase, Parkinson's Disease
Citation
MELETLİ F., Gündüz C., Alparslan M. M., ATTAR A., DEMİR S., İskit E., DANIŞ Ö., "Design, synthesis and biological evaluation of novel benzocoumarin derivatives as potent inhibitors of MAO-B activity", Bioorganic and Medicinal Chemistry Letters, cilt.113, 2024