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Identificazione di una pista farmaceutica mediante un approccio di docking molecolare

Identificazione di una pista farmaceutica mediante un approccio di docking molecolare

          
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About the Book

Il docking molecolare è un metodo computazionale per studiare la formazione di complessi intermolecolari di un ligando di una piccola molecola (farmaco guida) con una macromolecola, che di solito è una proteina (farmaco bersaglio) di struttura tridimensionale nota. Si possono distinguere quattro diversi tipi di interazioni tra le molecole: 1) proteina-proteina; 2) proteina-DNA; 3) DNA-ligando e 4) proteina-ligando. Negli ultimi anni, la disponibilità di strutture tridimensionali (3D) per molti bersagli farmacologici macromolecolari (proteine) e il rapido progresso della chimica computazionale e della bioinformatica, sia in vitro che in silico, hanno rappresentato una nuova piattaforma per lo sviluppo e l'esplorazione di moderni metodi computazionali. Quando la struttura 3 D del bersaglio macromolecolare è nota, la progettazione della libreria computazionale può essere personalizzata per adattarsi alla geometria del sito di legame. Inoltre, l'identificazione dei siti di legame e delle interazioni proteina-ligando mediante strumenti bioinformatici, prima di avventurarsi in studi di laboratorio, consente un notevole risparmio di energia, tempo e denaro.


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Product Details
  • ISBN-13: 9786205740873
  • Publisher: KS Omniscriptum Publishing
  • Publisher Imprint: Edizioni Sapienza
  • Height: 229 mm
  • No of Pages: 52
  • Spine Width: 3 mm
  • Width: 152 mm
  • ISBN-10: 6205740877
  • Publisher Date: 25 Feb 2023
  • Binding: Paperback
  • Language: Italian
  • Returnable: N
  • Weight: 91 gr


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