The effect of terminal dimethyl and diethyl substituents on the J-aggregate-like molecular arrangement of bisazomethine dye molecules

Abstract

The terminal dimethyl and diethyl substituents of the bisazomethine derivatives were found to affect the formation of J-aggregate-like 2-D molecular arrangements.

Aminopyrimidine Derivatives as Multiflavivirus Antiviral Compounds Identified from a Consensus Virtual Screening Approach

“…Herein, one could argue that the dimethyl substituent of 136 , compared to 140 and 158 , would be responsible for the activity against DENV-2 and ZIKV. This substitution may promote, for example, the aggregation of structures such as azomethines, interfering with structural conformations and allowing the rearrangement of compounds and target structures. Additionally, 140 and 158 have a spacing ether between the azepane and piperidine, respectively, which have been shown to potentially strengthen molecular bonds. , …”

“…Additionally, 140 and 158 have a spacing ether between the azepane and piperidine, respectively, which have been shown to potentially strengthen molecular bonds. 144,143 Interestingly, 158 (raloxifene) was the only compound that showed antiviral activity against YFV in both MTT (Table 3), plaque neutralization (Figure 6), and pretreatment assays (Supporting Information, Figure S4). As mentioned, assessing pretreatment assays aims to identify potential compoundinduced cellular antiviral responses, and one could suggest a potential secondary mechanism against YFV in addition to the proposed enzymatic inhibition from in silico predictions.…”