Structure-guided design and synthesis of ATP-competitive N-acyl-substituted sulfamide d-alanine-d-alanine ligase inhibitors DOI Creative Commons
Rouven Becker, Jordan L. Pederick,

Edward G. Dawes

et al.

Bioorganic & Medicinal Chemistry, Journal Year: 2023, Volume and Issue: 96, P. 117509 - 117509

Published: Oct. 26, 2023

d-Alanine-d-alanine ligase (Ddl) catalyses the ATP-dependent formation of d-Ala-d-Ala, a critical component in bacterial cell wall biosynthesis and is validated target for new antimicrobial agents. Here, we describe structure-guided design, synthesis, evaluation ATP-competitive N-acyl-substituted sulfamides 27-36, 42, 46, 47 as inhibitors Staphylococcus aureus Ddl (SaDdl). A crystal structure SaDdl complexed with ATP d-Ala-d-Ala (PDB: 7U9K) identified ATP-mimetic 8 an initial scaffold further inhibitor design. Evaluation enzyme inhibition assays revealed ability to reduce activity 72 ± % (IC

Language: Английский

Allure of HFIP in Unsaturated Carbon−Carbon Bond Functionalization DOI
Suman Ghosh, Koushik Patra, Mahiuddin Baidya

et al.

European Journal of Organic Chemistry, Journal Year: 2024, Volume and Issue: 27(12)

Published: Feb. 14, 2024

Abstract Hexafluoroisopropanol (HFIP) stands out as a versatile solvent in synthetic chemists’ repertoire, facilitating diverse array of intricate chemical reactions. It demonstrates multifaceted role that extends beyond conventional uses and, many cases, the mechanism appears to be complicated. This feature article elucidates significance HFIP context Lewis and Brønsted acid‐catalyzed reactions with specific emphasis on regio‐ stereoselective functionalization unsaturated carbon‐carbon bonds.

Language: Английский

Citations

4

Structure-guided design and synthesis of ATP-competitive N-acyl-substituted sulfamide d-alanine-d-alanine ligase inhibitors DOI Creative Commons
Rouven Becker, Jordan L. Pederick,

Edward G. Dawes

et al.

Bioorganic & Medicinal Chemistry, Journal Year: 2023, Volume and Issue: 96, P. 117509 - 117509

Published: Oct. 26, 2023

d-Alanine-d-alanine ligase (Ddl) catalyses the ATP-dependent formation of d-Ala-d-Ala, a critical component in bacterial cell wall biosynthesis and is validated target for new antimicrobial agents. Here, we describe structure-guided design, synthesis, evaluation ATP-competitive N-acyl-substituted sulfamides 27-36, 42, 46, 47 as inhibitors Staphylococcus aureus Ddl (SaDdl). A crystal structure SaDdl complexed with ATP d-Ala-d-Ala (PDB: 7U9K) identified ATP-mimetic 8 an initial scaffold further inhibitor design. Evaluation enzyme inhibition assays revealed ability to reduce activity 72 ± % (IC

Language: Английский

Citations

0