From Homology Modeling to the Hit Identification and Drug Repurposing : A Structure-Based Approach in the Discovery of Novel Potential Anti-Obesity Compounds
Although science and technology have progressed rapidly, de novo drug development has been a costly and time-consuming process over the past decades. In this scenario, drug repurposing has appeared as an alternative tool to accelerate the drug development process. Herein, we applied such an approach to the highly popular human Carbonic Anhydrase (hCA) VA drug target, that is involved in ureagenesis, gluconeogenesis, lipogenesis, and in the metabolism regulation. Albeit several hCA inhibitors have been designed and are currently in clinical use, serious drug interactions have been reported due to their poor selectivity. In this perspective, the drug repurposing approach could be a useful tool for investigating the drug promiscuity/polypharmacology profile. In this chapter, we describe a combination of virtual screening techniques and in vitro assays aimed to identify novel selective hCA VA inhibitors and to repurpose drugs known for other clinical indications.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2021 |
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| Erschienen: |
2021 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:2266 |
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| Enthalten in: |
Methods in molecular biology (Clifton, N.J.) - 2266(2021) vom: 23., Seite 263-277 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Costa, Giosuè [VerfasserIn] |
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| Links: |
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| Anmerkungen: |
Date Completed 13.04.2021 Date Revised 13.04.2021 published: Print Citation Status MEDLINE |
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| doi: |
10.1007/978-1-0716-1209-5_15 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLM32315378X |
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| 500 | |a Citation Status MEDLINE | ||
| 520 | |a Although science and technology have progressed rapidly, de novo drug development has been a costly and time-consuming process over the past decades. In this scenario, drug repurposing has appeared as an alternative tool to accelerate the drug development process. Herein, we applied such an approach to the highly popular human Carbonic Anhydrase (hCA) VA drug target, that is involved in ureagenesis, gluconeogenesis, lipogenesis, and in the metabolism regulation. Albeit several hCA inhibitors have been designed and are currently in clinical use, serious drug interactions have been reported due to their poor selectivity. In this perspective, the drug repurposing approach could be a useful tool for investigating the drug promiscuity/polypharmacology profile. In this chapter, we describe a combination of virtual screening techniques and in vitro assays aimed to identify novel selective hCA VA inhibitors and to repurpose drugs known for other clinical indications | ||
| 650 | 4 | |a Journal Article | |
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| 650 | 4 | |a Anti-obesity drugs | |
| 650 | 4 | |a Carbonic anhydrase VA | |
| 650 | 4 | |a Drug design | |
| 650 | 4 | |a Drug repurposing | |
| 650 | 4 | |a Molecular docking | |
| 650 | 4 | |a Selectivity | |
| 650 | 4 | |a Virtual screening | |
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| 700 | 1 | |a Artese, Anna |e verfasserin |4 aut | |
| 700 | 1 | |a Ortuso, Francesco |e verfasserin |4 aut | |
| 700 | 1 | |a Alcaro, Stefano |e verfasserin |4 aut | |
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