Synthesis, molecular docking study and biological evaluation of new pyrrole scaffolds as potential antitubercular agents for dual targeting of enoyl ACP reductase and dihydrofolate reductase.

In this study, new series of N'-(2-(substitutedphenoxy)acetyl)-4-(1H-pyrrol-1-yl)benzohydrazides (3a-j) 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N'-(2-(substitutedphenoxy)acetyl)benzohydrazides (5a-j) were synthesized, characterized and assessed as inhibitors of enoyl ACP reductase and DHFR. Most of the compounds exhibited dual inhibition against the enzymes enoyl ACP reductase and DHFR. Several synthesized substances also demonstrated significant antibacterial and antitubercular properties. A molecular docking analysis was conducted in order to determine the potential mechanism of action of the synthesized compounds. The results indicated that there were binding interactions seen with the active sites of dihydrofolate reductase and enoyl ACP reductase. Additionally, important structural details were identified that play a critical role in sustaining the dual inhibitory activity. These findings were useful for the development of future dual inhibitors. Therefore, this study provided strong evidence that several synthesized molecules could exert their antitubercular properties at the cellular level through multi-target inhibition. By shedding light on the mechanisms through which these compounds exert their inhibitory effects, this research opens up promising avenues for the future development of dual inhibitors with enhanced antibacterial and antitubercular properties. The study's findings underscore the importance of multi-target approaches in drug design, providing a strong foundation for the design and optimization of novel compounds that can effectively target bacterial infections at the cellular level.

New Concept of Power Generation Using TEGs: Thermal Modeling, Parametric Analysis, and Case Study.

In this manuscript, an innovative concept of producing power from a thermoelectric generator (TEG) is evaluated. This concept takes advantage of using the exhaust airflow of all-air heating, ventilating, and air-conditioning (HVAC) systems, and sun irradiation. For the first step, a parametric analysis of power generation from TEGs for different practical configurations is performed. Based on the results of the parametric analysis, recommendations associated with practical applications are presented. Therefore, a one-dimensional steady-state solution for the heat diffusion equation is considered with various boundary conditions (representing applied configurations). It is revealed that the most promising configuration corresponds to the TEG module exposed to a hot fluid at one face and a cold fluid at the other face. Then, based on the parametric analysis, the innovative concept is recognized and analyzed using appropriate thermal modeling. It is shown that for solar radiation of 2000 W/m2 and a space cooling load of 20 kW, a 40 × 40 cm2 flat plate is capable of generating 3.8 W of electrical power. Finally, an economic study shows that this system saves about $6 monthly with a 3-year payback period at 2000 W/m2 solar radiation. Environmentally, the system is also capable of reducing about 1 ton of CO2 emissions yearly.