Computational strategies for the design of proteolysis targeting chimera degraders: Artificial intelligence enabled PROTAC design

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F24%3A00601208" target="_blank" >RIV/61388963:_____/24:00601208 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1016/bs.armc.2024.10.002" target="_blank" >https://doi.org/10.1016/bs.armc.2024.10.002</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/bs.armc.2024.10.002" target="_blank" >10.1016/bs.armc.2024.10.002</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Computational strategies for the design of proteolysis targeting chimera degraders: Artificial intelligence enabled PROTAC design

Popis výsledku v původním jazyce

Proteolysis targeting chimera (PROTAC) is a tool that can achieve chemical knockdown of proteins via the ubiquitin-proteasome pathway, which is a new strategy for drug discovery and development. PROTACs can induce selective degradation of target proteins by binding and not necessarily inhibiting them and thus have the potential to access the undruggable proteome. Academic and industrial pipelines employ computational models and tools that utilize existing experimental data from previous efforts to identify and rationally design new degraders. This chapter describes the computational-enabled methods for PROTAC degrader design and ternary complex prediction and highlights the importance of online tools in the advancement of the targeted protein degradation field.

Název v anglickém jazyce

Computational strategies for the design of proteolysis targeting chimera degraders: Artificial intelligence enabled PROTAC design

Popis výsledku anglicky

Proteolysis targeting chimera (PROTAC) is a tool that can achieve chemical knockdown of proteins via the ubiquitin-proteasome pathway, which is a new strategy for drug discovery and development. PROTACs can induce selective degradation of target proteins by binding and not necessarily inhibiting them and thus have the potential to access the undruggable proteome. Academic and industrial pipelines employ computational models and tools that utilize existing experimental data from previous efforts to identify and rationally design new degraders. This chapter describes the computational-enabled methods for PROTAC degrader design and ternary complex prediction and highlights the importance of online tools in the advancement of the targeted protein degradation field.

Druh

C - Kapitola v odborné knize

CEP obor

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OECD FORD obor

30107 - Medicinal chemistry

Projekt

<a href="/cs/project/EH22_008%2F0004607" target="_blank" >EH22_008/0004607: Nové technologie pro translační výzkum ve farmaceutických vědách /NETPHARM</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2024

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název knihy nebo sborníku

PROTAC and Similar Technologies

ISBN

978-0-443-29584-3

Počet stran výsledku

37

Strana od-do

1-37

Počet stran knihy

112

Název nakladatele

Academic Press

Místo vydání

London

Kód UT WoS kapitoly

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