Allosteric regulation plays an important role in many biological processes, such as signal transduction, transcriptional regulation, and metabolism. Allostery is rooted in the fundamental physical properties of macromolecular systems, but its underlying mechanisms are still poorly understood. A collection of contributions to a recent interdisciplinary CECAM (Center Européen de Calcul Atomique et Moléculaire) workshop is used here to provide an overview of the progress and remaining limitations in the understanding of the mechanistic foundations of allostery gained from computational and experimental analyses of real protein systems and model systems. The main conceptual frameworks instrumental in driving the field are discussed. We illustrate the role of these frameworks in illuminating molecular mechanisms and explaining cellular processes, and describe some of their promising practical applications in engineering molecular sensors and informing drug design efforts.

Wodak, S., Paci, E., Dokholyan, N., Berezovsky, I., Horovitz, A., Li, J., et al. (2019). Allostery in Its Many Disguises: From Theory to Applications. STRUCTURE, 27(4), 566-578 [10.1016/j.str.2019.01.003].

Allostery in Its Many Disguises: From Theory to Applications

Faccioli, Pietro;
2019

Abstract

Allosteric regulation plays an important role in many biological processes, such as signal transduction, transcriptional regulation, and metabolism. Allostery is rooted in the fundamental physical properties of macromolecular systems, but its underlying mechanisms are still poorly understood. A collection of contributions to a recent interdisciplinary CECAM (Center Européen de Calcul Atomique et Moléculaire) workshop is used here to provide an overview of the progress and remaining limitations in the understanding of the mechanistic foundations of allostery gained from computational and experimental analyses of real protein systems and model systems. The main conceptual frameworks instrumental in driving the field are discussed. We illustrate the role of these frameworks in illuminating molecular mechanisms and explaining cellular processes, and describe some of their promising practical applications in engineering molecular sensors and informing drug design efforts.
Articolo in rivista - Articolo scientifico
allosteric drugs; allosteric material; allosteric switches; Allostery; elastic network models; energy landscape; molecular dynamics; protein conformational changes; protein function; regulation; signal transduction;
English
2019
27
4
566
578
none
Wodak, S., Paci, E., Dokholyan, N., Berezovsky, I., Horovitz, A., Li, J., et al. (2019). Allostery in Its Many Disguises: From Theory to Applications. STRUCTURE, 27(4), 566-578 [10.1016/j.str.2019.01.003].
File in questo prodotto:
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/405581
Citazioni
  • Scopus 239
  • ???jsp.display-item.citation.isi??? 231
Social impact