New In Silico Insights into the Application of (Hydroxy)Chloroquine with Macrolide Antibiotic Co-Crystals against the SARS-CoV-2 Virus

Abstract

In this in silico study, different pharmaceutical co-crystals based on (hydroxy)chloroquine with macrolide antibiotics (azithromycin, clarithromycin, or erythromycin A) were analyzed for the first time. These findings present a new molecular perspective and therefore suggest that the combination of (hydroxy)chloroquine/azithromycin, in the stoichiometric ratio of 1:1, as model co-crystal systems has less toxicity and is the most effective for inhibiting the new severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2).

Prospects of ZnS and ZnO as smart semiconductor materials in light-activated antimicrobial coatings for mitigation of severe acute respiratory syndrome coronavirus-2 infection

“…The theoretical values of the lethal dose (LD 50 ) were also obtained in this study for a rat model-based ADMET predictor (http://biosig.unimelb.edu.au/pkcsm/prediction). These techniques have been successfully employed for similar systems [71] , [72] , [73] , [74] .…”

Prospects of ZnS and ZnO as smart semiconductor materials in light-activated antimicrobial coatings for mitigation of severe acute respiratory syndrome coronavirus-2 infection

“…The theoretical values of the lethal dose (LD50) were also obtained in this study for a rat model-based ADMET predictor (http://biosig.unimelb.edu.au/pkcsm/prediction). These techniques have been successfully employed for similar systems [62][63][64][65].…”