{"id":3526,"date":"2020-09-17T09:29:41","date_gmt":"2020-09-17T08:29:41","guid":{"rendered":"https:\/\/ibb.uab.cat\/?p=3526"},"modified":"2020-09-17T11:04:07","modified_gmt":"2020-09-17T10:04:07","slug":"rational-design-of-small-molecules","status":"publish","type":"post","link":"https:\/\/ibb.uab.cat\/index.php\/2020\/09\/17\/rational-design-of-small-molecules\/","title":{"rendered":"Protein Folding and Conformational Diseases.”Rational design of small molecules able to inhibit \u03b1-synuclein amyloid aggregation for the treatment of Parkinson\u2019s disease”"},"content":{"rendered":"

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\/doi\/full\/10.1080\/14756366.2020.1816999<\/a><\/p>\n

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Abstract<\/h2>\n
Parkinson\u2019s disease is one of the most common neurodegenerative disorders in elderly age. One of the mechanisms involved in the neurodegeneration appears related to the aggregation of the presynaptic protein alpha synuclein (\u03b1-syn) into toxic oligomers and fibrils. To date, no highly effective treatment is currently available; therefore, there is an increasing interest in the search of new therapeutic tools. The modulation of \u03b1-syn aggregation represents an emergent and promising disease-modifying strategy for reducing or blocking the neurodegenerative process. Herein, by combining\u00a0in silico<\/i>\u00a0and\u00a0in\u00a0vitro<\/i>\u00a0screenings we initially identified 3-(cinnamylsulfanyl)-5-(4-pyridinyl)-1,2,4-triazol-4-amine (3<\/b>) as \u03b1-syn aggregation inhibitor that was then considered a promising hit for the further design of a new series of small molecules. Therefore, we rationally designed new hit-derivatives that were synthesised and evaluated by biological assays. Lastly, the binding mode of the newer inhibitors was predicted by docking studies.<\/div>\n
\u00a0<\/div>\n<\/div>\n","protected":false},"excerpt":{"rendered":"

\/doi\/full\/10.1080\/14756366.2020.1816999 Abstract Parkinson\u2019s disease is one of the most common neurodegenerative disorders in elderly age. One of the mechanisms involved in the neurodegeneration appears related to the aggregation of the presynaptic protein alpha synuclein (\u03b1-syn) into toxic oligomers and fibrils. To date, no highly effective treatment is currently available; therefore, there is an increasing interest […]<\/p>\n","protected":false},"author":65,"featured_media":3528,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":[],"categories":[4],"tags":[],"_links":{"self":[{"href":"https:\/\/ibb.uab.cat\/index.php\/wp-json\/wp\/v2\/posts\/3526"}],"collection":[{"href":"https:\/\/ibb.uab.cat\/index.php\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/ibb.uab.cat\/index.php\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/ibb.uab.cat\/index.php\/wp-json\/wp\/v2\/users\/65"}],"replies":[{"embeddable":true,"href":"https:\/\/ibb.uab.cat\/index.php\/wp-json\/wp\/v2\/comments?post=3526"}],"version-history":[{"count":1,"href":"https:\/\/ibb.uab.cat\/index.php\/wp-json\/wp\/v2\/posts\/3526\/revisions"}],"predecessor-version":[{"id":3529,"href":"https:\/\/ibb.uab.cat\/index.php\/wp-json\/wp\/v2\/posts\/3526\/revisions\/3529"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/ibb.uab.cat\/index.php\/wp-json\/wp\/v2\/media\/3528"}],"wp:attachment":[{"href":"https:\/\/ibb.uab.cat\/index.php\/wp-json\/wp\/v2\/media?parent=3526"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/ibb.uab.cat\/index.php\/wp-json\/wp\/v2\/categories?post=3526"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/ibb.uab.cat\/index.php\/wp-json\/wp\/v2\/tags?post=3526"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}