Computational evidence for nitro derivatives of quinoline and quinoline N-oxide as low-cost alternative for the treatment of SARS-CoV-2 infection

• Published in: Scientific reports Vol. 11; no. 1; p. 6397
• Main Authors: Assis, Letícia C, de Castro, Alexandre A, de Jesus, João P A, Nepovimova, Eugenie, Kuca, Kamil, Ramalho, Teodorico C, La Porta, Felipe A
• Format: Journal Article
• Language: English
• Published: England Nature Publishing Group 18.03.2021; Nature Publishing Group UK; Nature Portfolio
• Subjects: Bioactive compounds; Biological activity; Computer applications; Computer Simulation; Coronaviruses; COVID-19; COVID-19 - drug therapy; Density Functional Theory; Drug Evaluation, Preclinical; Isomers; Molecular Docking Simulation; Molecular dynamics; Molecular Dynamics Simulation; Pandemics; Physicochemical properties; Quinolines - chemistry; Quinolines - therapeutic use; SARS-CoV-2 - chemistry; Severe acute respiratory syndrome coronavirus 2

A new and more aggressive strain of coronavirus, known as SARS-CoV-2, which is highly contagious, has rapidly spread across the planet within a short period of time. Due to its high transmission rate and the significant time-space between infection and manifestation of symptoms, the WHO recently dec...