Facile Syntheses and Molecular-Docking of Novel Substituted 3,4-Dimethyl-1H-pyrrole-2-carboxamide/carbohydrazide Analogues with Antimicrobial and Antifungal Properties

The article describes the use of facile one-pot, high-yielding reactions to synthesize substituted 3,4-dimethyl-1H-pyrrole-2-carboxamides 3a–m and carbohydrazide analogues 5a–l as potential antifungal and antimicrobial agents. The structural identity and purity of the synthesized compounds were assigned based on appropriate spectroscopic techniques. Synthesized compounds were assessed in vitro for antifungal and antibacterial activity. The compounds 5h, 5i and 5j were found to be the most potent against Aspergillus fumigatus, with MIC values of 0.039 mg/mL. The compound 5f bearing a 2, 6-dichloro group on the phenyl ring was found to be the most active broad spectrum antibacterial agent with a MIC value of 0.039 mg/mL. The mode of action of the most promising antifungal compounds (one representative from each series; 3j and 5h) was established by their molecular docking with the active site of sterol 14α-demethylase. Molecular docking studies revealed a highly spontaneous binding ability of the tested compounds in the access channel away from catalytic heme iron of the enzyme, which suggested that the tested compounds inhibit this enzyme and would avoid heme iron-related deleterious side effects observed with many existing antifungal compounds

European Union legislation for demand-side management and public policies for demand response

Energy is now intrinsically linked to technological and social development, powering all such systems. The use of fossil fuels to supply the required energy is causing global environmental and health issues and is impacting on all life forms on the planet. Given the increasing energy use, anthropogenic greenhouse gas emissions are consequentially increasing. A critical and evolutionary way of thinking about the energy and resources demand management and supply is necessary because there is a clear concern about irreversible impacts on the world and a scarcity of the resources as well. At the same time, all the energy and resource use processes should be optimized to maximize the benefits, reduce the costs and promote stakeholders network, toward a circular economy. This could be the way to supply the demand without increasing the scarcity of the resources and to simultaneously achieve environmental benefits. At the same time, creating an educational grid is important to change the established paradigms, to promote critical thinking about the wasted resources and thinking holistically about overall consumption. This paradigm shift is changing the market, making it more competitive and reducing inefficiency by promoting the efficient use of resources. In the XXI century, legislation and public policies which consider sustainability approaches are constantly improving, trying to fix the pathways to avoid climate changes and achieve energy efficiency, but at the same time, the energy and resources demand still increasing to a no sustainable way to the social and environmental aspects.InPath-TES -Innovation Pathways for Thermal Energy Storage and BAMB -Building as Materials Banks–European projects funded by the EU Framework Programme for Research and Innovation – Horizon 2020This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 642384.info:eu-repo/semantics/publishedVersio