Studying the Biological Activity of Trans-[Cu (quin)2(EtOH)2] as Potent Antimicrobial Cu(II) Complex through Computational Investigations: DFT, ADMET and Molecular Docking.

Background: Trans-[Cu (quin)2(EtOH)2], a new copper (II) complex, was characterized using a variety of computational techniques to explore its biological role in pharmacological applications.

Methods: The computational methods included density functional theory (DFT), ADMET and molecular docking.

Results: The optimized geometrical parameters revealed that the plane containing the Cu ion and the Quinaldinate ligands was confirmed to be nearly planar.

High-Surface-Area-Activated Carbon Derived from Mango Peels and Seeds Wastes via Microwave-Induced ZnCl Activation for Adsorption of Methylene Blue Dye Molecules: Statistical Optimization and Mechanism.

In this study, Mango () seeds (MS) and peels (MP) seeds mixed fruit wastes were employed as a renewable precursor to synthesize high-surface-area-activated carbon (MSMPAC) by using microwave-induced ZnCl activation. Thus, the applicability of MSMPAC was evaluated towards the removal of cationic dye (methylene blue, MB) from an aqueous environment. The key adsorption factors, namely A: MSMPAC dose (0.

A Simple Precursor for Highly Functionalized Fused Imidazo[4,5-b]pyridines and Imidazo[4,5-b]-1,8-naphthyridine.

1-alkyl aryl-5-amino-4-(cyanoformimidoyl)imidazoles were reacted with malononitrile and 2-amino-1,1,3-propenetricarbonitrile under mild experimental conditions, which led to 5-amino-3-(substituted benzyl)-6,7-dicyano-3-imidazo[4,5-]pyridines and 6,8-diamino-3-(4-substituted benzyl)-3-imidazo[4,5-]-1,8-naphthyridine-7,9-dicarbonitrile , respectively, when the reaction was carried out in the absence of a base, or to 5,7-diamino-3-(4-alkyl aryl)-3-imidazo[4,5-]pyridine-6-carbonitrile , and 6,8,9-triamino-3-(4-substitutedbenzyl)-3-imidazo[4,5-]-1,8-naphthyridine-7-carbonitrile in the presence of 1,8-diazabicyclo(5.4.0)undec-7-ene (DBU).