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Struttura e reattività di alcune molecole di farmaci anti-TB by Hazarika, Kalyan Kr

Struttura e reattività di alcune molecole di farmaci anti-TB

by Kalyan Kr Hazarika
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Book cover type: Paperback
  • ISBN13: 9783639641042
  • Binding: Paperback
  • Subject: N/A
  • Publisher: Edizioni Sapienza
  • Publisher Imprint: Edizioni Sapienza
  • Publication Date:
  • Pages: 84
  • Original Price: GBP 43.41
  • Language: Italian
  • Edition: N/A
  • Item Weight: 123 grams
  • BISAC Subject(s): Chemistry / Physical & Theoretical

La progettazione farmacologica assistita dal computer � emersa come un promettente strumento alternativo per sostituire il metodo convenzionale, complesso, costoso e molto dispendioso in termini di tempo, di progettazione e sviluppo di nuovi potenziali farmaci. In questo libro, l'autore presenta una trattazione completa dell'argomento con particolare enfasi sull'indagine della struttura e delle propriet� di alcune molecole organiche bioattive con attivit� antitubercolare utilizzando diverse tecniche di modellazione molecolare. Le caratteristiche principali di questo libro sono: Si concentra sui calcoli di chimica quantistica eseguiti per determinare la struttura e la reattivit� di due dei farmaci antitubercolari pi� comunemente utilizzati, l'INH, la PZA e l'MHI, un nuovo analogo naturale dell'INH. Questo libro fornisce anche una visione dettagliata della modalit� di interazione dell'INH che comporta il legame degli addotti isoniazide-NAD al sito attivo dell'enoil-ACP reduttasi (InhA) del Mycobacterium tuberculosis, studiata utilizzando approcci di docking e meccanica quantistica/meccanica molecolare (QM/MM). Il libro dovrebbe essere di aiuto agli studenti di ricerca che lavorano nel campo della progettazione di farmaci, in particolare utilizzando tecniche di modellazione molecolare.

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