Chapter title |
Rational Development of MAGL Inhibitors
|
---|---|
Chapter number | 20 |
Book title |
Rational Drug Design
|
Published in |
Methods in molecular biology, January 2018
|
DOI | 10.1007/978-1-4939-8630-9_20 |
Pubmed ID | |
Book ISBNs |
978-1-4939-8629-3, 978-1-4939-8630-9
|
Authors |
Carlotta Granchi, Flavio Rizzolio, Isabella Caligiuri, Marco Macchia, Adriano Martinelli, Filippo Minutolo, Tiziano Tuccinardi, Granchi, Carlotta, Rizzolio, Flavio, Caligiuri, Isabella, Macchia, Marco, Martinelli, Adriano, Minutolo, Filippo, Tuccinardi, Tiziano |
Abstract |
Hit identification and hit-to-lead optimization are key steps of the early drug discovery program. Starting from the X-ray crystal structure of the human monoacylglycerol lipase (hMAGL), we herein describe the computational and experimental procedures that we applied for identifying and optimizing a new active inhibitor of this target enzyme. A receptor-based virtual screening method is reported in details, together with enzymatic assays and a first round of hit optimization. |
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Geographical breakdown
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Unknown | 6 | 100% |
Demographic breakdown
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Student > Ph. D. Student | 2 | 33% |
Unspecified | 1 | 17% |
Professor > Associate Professor | 1 | 17% |
Student > Postgraduate | 1 | 17% |
Student > Master | 1 | 17% |
Other | 0 | 0% |
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Neuroscience | 1 | 17% |
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