Synthesis, in silico, and in vitro evaluation of 7-chloro-quinolines designed as myeloperoxidase inhibitors

•Synthesis, in silico & in vitro evaluation of 7‑chloro-quinolines as MPO inhibitors.•Derivatives 13k, 13l, and 14 emerged as the most potent MPO inhibitors.•Their ability to inhibit MPO arises from interactions with catalytic triad residues.•13k, 13l, and 14 demonstrated drug-likeness and favor...

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Bibliographic Details

Published in:	Journal of molecular structure Vol. 1312; p. 138528
Main Authors:	Pereira, Gabriel Rodrigues Coutinho, Fraga, Letícia de Souza, de Jesus, Romulo Pereira, Queiroz, Rafael Compan, Leite, Beatriz de Frias, Alves, Marina Amaral, de Mesquita, Joelma Freire, de Souza, Alessandra Mendonça Teles, da Silva, Leandro Louback, Rodrigues, Carlos Rangel, Cabral, Lucio Mendes, Abrahim-Vieira, Barbara de Azevedo, Barbosa, Maria Leticia de Castro
Format:	Journal Article
Language:	English
Published:	Elsevier B.V 15-09-2024
Subjects:	7‑chloro-quinoline analogs Anti-inflammatory agent Drug design Medicinal chemistry Myeloperoxidase inhibitor Myeloperoxidase inhibitor Anti-inflammatory agent Medicinal chemistry Drug design 7‑chloro-quinoline analogs
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