Mechanistic insights into lysine-targeting covalent inhibition through a theoretical study of ester aminolysis-Reference-Cited by-同舟云学术

Mechanistic insights into lysine-targeting covalent inhibition through a theoretical study of ester aminolysis

Published:2021 Issue:45 Volume:19 Page:9996-10004
ISSN:1477-0520
Container-title:Organic & Biomolecular Chemistry
language:en
Short-container-title:Org. Biomol. Chem.

Author:

Fındık Volkan¹²^ORCID,Ruiz-López Manuel F.¹^ORCID,Erdem Safiye Sag²^ORCID

Affiliation:

1. LPCT, UMR 7019, University of Lorraine, CNRS, BP 70239, 54506 Vandoeuvre-les-Nancy, France

2. Department of Chemistry, Faculty of Arts and Sciences, Marmara University, 34722 Istanbul, Turkey

Abstract

Activated phenolic esters are promising as lysine-targeted covalent inhibitors of the PI3Kδ enzyme. Quantum chemical calculations on model reactions provide insights into the reaction mechanisms and factors determining inhibitor efficiency.

Publisher

Royal Society of Chemistry (RSC)

Subject

Organic Chemistry,Physical and Theoretical Chemistry,Biochemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/OB/D1OB01963E

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