Acetohydroxyacid Synthase (AHAS) Inhibitor-Based Commercial Sulfonylurea Herbicides as Glutathione Reductase Inhibitors: in Vitro and in Silico Studies

In this study, in vitro inhibitory effect of AHAS inhibiting-based commercial sulfonylurea herbicides on human GR and S. cerevisiae GR was determined by electrochemical method. Our findings, the first report in literature, show that the four commercial herbicides were found to be the inhibitors in the range of 4.90–9.75 μM for ScGR, and in the range of 8.54–18.84 μM for hGR. Global reactivity descriptors (energy gaps, electronegativity, hardness and electrophilicity index) of the herbicides were calculated by DFT/B3LYP/6-31G(d,p) method in gas phase. The electrochemical behavior of the herbicides was studied by cyclic voltammetry. Single-electron half-wave reduction potentials and global reactivity descriptors were correlated with the IC50 values of the herbicides. Molecular docking analysis using Schrödinger Suite was applied to examine the interaction between the herbicides and human GR (PDB ID:1XAN and 2GH5), S. cerevisiae GR (PDB ID:2HQM), P. falciparum GR (PDB ID:1ONF), C. albicans AHAS (PDB ID:6DEL) and ScAHAS (PDB ID: 5FEM. Based on the docking results, it can be predicted that (a) herbicides have similar binding potential to two different binding sites of hGRs, (b) herbicides may have antimalarial potential against P. falciparum (c) herbicides may have antifungal potential against C. albicans. © 2022 Wiley-VCH GmbH

Some sulfonyl hydrazones, sulfonamides, Schiff bases and investigation of electrochemical properties of their some metal complexes

Bu çalışmada, bazı bileşiklerin, hem susuz hem de sulu ortamdaki elektrokimyasal davranışları dönüşümlü voltametri (CV), kare dalga voltametrisi (SWV), kronoamperometri (CA), sabit potansiyelli kulometri (bulk elektroliz, BE) gibi teknikler kullanılarak incelendi. Susuz ortam çalışmaları, Pt ve camsı karbon elektrotta, 0,10 M tetrabutilamonyum tetrafloroborat içeren N,N-dimetilsülfoksitte gerçekleştirilirken, sulu ortam çalışmaları, camsı karbon elektrotta, 0,10 M tetrabutilamonyum tetrafloroborat destek elektroliti içeren çözeltilerde yapıldı. İncelenen bileşiklerin indirgenme reaksiyonlarında aktarılan elektron sayıları, difüzyon katsayıları ve standart heterojen hız sabitleri hesaplandı.In this study, the electrochemical behaviors of some compounds either in nonaqueous or in aqueous media were investigated by using cyclic voltammetry (CV), square wave voltammetry (SWV), chronoamperometry (CA), controlled potential electrolysis (BE) techniques. Aqueous medium studies were performed in water containing 0.10 M tetrabutylammonium tetrafluoroborate, at glassy carbon electrode, while the non-aqueous studies were carried out in N,N-dimethylsulfoxside solutions containing 0.10 M tetrabutylammonium tetrafluoroborate, at platinum and glassy carbon electrodes. Transferred electron numbers, diffusion coefficients and standard heterogeneous rate constants for reduction reactions of compounds were calculated

New series of aromatic/five-membered heteroaromatic butanesulfonyl hydrazones as potent biological agents: Synthesis, physicochemical and electronic properties

The aromatic/five-membered heteroaromatic butanesulfonylhydrazone derivatives; 5-bromosalicylalde hydebutanesulfonylhydrazone(1), 2-hydroxy-1-naphthaldehydebutane sulfonylhydrazone(2), indole-3-carboxaldehydebutanesulfonylhydrazone (3), 2-acetylfuran- carboxyaldehydebutanesulfonylhydrazone(4), 2-acetylthiophenecarboxyaldehydebutane- sulfonylhydrazone(5) and 2-acetyl-5-chlorothiophene carboxyaldehydebutanesulfonyl hydrazone (6) were synthesized by the reaction of butane sulfonic acid hydrazide with aldehydes/ketones and characterized by using elemental analysis, H-1 NMR, C-13 NMR and FT-IR technique. Their geometric parameters and electronic properties consist of global reactivity descriptors were also determined by theoretical methods. The electrochemical behavior of the butanesulfonylhydrazones were investigated by using cyclic voltammetry (CV), controlled potential electrolysis and chronoamperometry (CA) techniques. The number of electrons transferred (n), diffusion coefficient (D) and standard heterogeneous rate constants (k(s)) were determined by electrochemical methods. (C) 2016 Elsevier B.V. All rights reserved