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AbstractOne of the primary purposes of this study is to synthesize new aryl sulfonate-naphthalene hybrid structures possessing divergent electron-withdrawing and electron-releasing functional groups. Following the improved reaction conditions, we successfully gathered ten distinct sulfonate derivatives (3a-j) with good yields. The synthesized naphthalene-based sulfonate derivatives were then characterized using appropriate analytical methods (FT-IR, 1H-NMR, 13C-NMR, HRMS, and elemental analysis). Additionally, in vitroand in silicoenzyme inhibitory properties of the prepared aryl sulfonate-naphthalene hybrid structures were evaluated against pancreatic lipase and tyrosinase enzymes. Corresponding in vitroenzyme activity investigations revealed that the produced compounds inhibit pancreatic lipase and tyrosinase enzymes significantly. According to the lowest IC50values, 3h(95.3 ± 4.0 µM) demonstrated the most effective inhibition against pancreatic lipase, whereas 3a(40.8 ± 3.3 µM) was found as the most effective inhibition against the tyrosinase. According to in silicostudies, 3aexhibited the highest affinity value (−9.9 kcal/mol) against pancreatic lipase, whereas 3fdemonstrated the best affinity value (−8.7 kcal/mol) against tyrosinase.Furthermore, we investigated various structural and physicochemical properties of the target molecules, namely frontier orbital’ (HOMO, LUMO, and bandgap) energies (including their corresponding contour plots), global reactivity descriptors (ionization energy and electron affinity), and electronegativity values gathered from ground-state (GS) density functional theory (DFT) calculations. These investigations demonstrated that the observed electrostatic interactions effectively contributed to the studied molecules’ experimentally demonstrated enzyme inhibition potential. Also, ADMET studies were evaluated to enlighten the molecular interactions of the compounds with the enzymes.Communicated by Ramaswamy H. Sarma

AbstractIn this study, a series of novel Schiff bases (4a-4h) containing 1,2,4-triazole structure were synthesized through a condensation reaction of 3-alkyl(aryl)-4-amino-4,5-dihydro-1H-1,2,4-triazol-5-ones with 3-(4-methylbenzenesulfonyloxy)-benzaldehyde. The structures of 3-alkyl(aryl)-4-[3-(4-methylsulfonyloxy)-benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-ones (4a-h) were determined through a range of spectroscopic techniques (FT-IR, 1H NMR, 13C NMR, and elemental analysis). In addition, enzyme inhibitory properties of the newly synthesized Schiff bases were determined against acetylcholinesterase (AChE). Their Kivalues were calculated in the range of 0.70 ± 0.07–8.65 ± 5.6 µM. Besides, their IC50values were calculated in the range of 0.43–3.87 µM. Finally, in silicomolecular docking interactions of the compounds with AChE target enzyme (PDB ID:4EY7) were evaluated using Chimera and AutoDock Vina softwares. The lowest binding energy levels (-12.0 kcal/mol) of the compounds 4e and 4g with AChE target enzyme were verified the best binding affinities and molecular interactions.Communicated by Ramaswamy H. Sarma

AbstractThe present ethnobotanical study unravelled the phenolic reservoir (UHPLC-MS/TQ-MS) and pharmacological activity (antioxidant and enzyme inhibitory activities) of an endemic plant, Achillea pseudoaleppicaHub.-Mor. (Asteraceae). The effective antioxidant properties of ethanol and water extracts of A. pseudoaleppicaleaves were determined by using six different in vitrobioanalytical methods including three reducing antioxidant methods and three radical scavenging antioxidant methods. In the other step of the study, the enzyme inhibitory effects of water and ethanol extracts of A. pseudoaleppicawere determined against acetylcholinesterase (AChE), butyrylcholinesterase (BChE), α-amylase, and α-glucosidase enzymes. The ethanol extract was found to have effective inhibition potential for all four respected enzymes. The IC50values of A. pseudoaleppicaextract against AChE, BChE, α-amylase, and α-glucosidase enzymes were found to be 2.67 mg/mL, 4.55 mg/mL, 16.51 mg/mL, and 12.37 mg/mL, respectively. Also, UHPLC-MS/TQ-MS analyses revealed quinic acid as the most abundant phenolic compound of the water extract (31.12 ± 1.65 µg/mg) and ethanol extract (11.75 ± 0.82 µg/mg). In addition, the molecular docking interaction of the most abundant phenolic compound of A. pseudoaleppica(quinic acid) with AChE, BChE, α-amylase, and α-glucosidase target enzymes were evaluated using Chimera and AutoDock Vina softwares. In conclusion, the rich phenolic content and the potent antioxidant and enzyme inhibitory properties of A. pseudoaleppicaextracts may support the widespread ethnobotanical use of the plant application.Communicated by Ramaswamy H. Sarma

AbstractGlutathione s-transferase (GST) is a class of enzymes that performs a wide array of biological functions. However, GST enzymes are most famously known for their roles in catalyzing the conjugation of reduced glutathione (GSH) to electrophilic centers on a wide variety of substrates to induce water-solubility to compounds as a protective antioxidant mechanism against toxic substances. In the present study, in vitroinhibition effects of coumarin, ascorbic acid, sodium sulfide, sodium azide, citric acid compounds, and Cd2+, Cu2+, Ni2+, Mg2+metal ions against GST enzyme were determined. For this aim, the GST enzyme was purified from Vaccinium arctostapylousL. using the glutathione-agarose affinity chromatography and Sephadex G-100 gel filtration steps. The respective metals and chemical compounds were used at different concentrations for measuring their in vitroGST activity effects. The Kivalues of these agents were determined as 0.450 ± 0.13, 15.05 ± 7.05, 0.009 ± 0.001, 0.022 ± 0.006, 0.120 ± 0.36, 0.150 ± 0.06, 0.223 ± 0.03, 0.002 ± 0.0003, and 0.136 ± 0.06 mM, respectively. Finally, the molecular docking interactions of the compounds with the GST target enzyme were evaluated using Autodock Tools-1.5.6. The effective molecular interactions of coumarin, citric acid, ascorbic acid, and sodium sulfide with GST target enzyme were found with their binding lowest energy affinities −4.62, −3.04, −2.53, and −1.67 kcal/mol, respectively.Communicated by Ramaswamy H. Sarma

Selenium (Se) is found in plants both in inorganic and organic forms as selenoamino acids and methylated complexes. Se influences growth and physiological parameters, viz. root and shoot growth, starch accumulation, water status regulation, respiration, germination promotion, nitrogen assimilation and delaying senescence in plants. Se deficiency causes many human medical conditions, viz. cancer, liver disease, cardiovascular disease, thyroid disease, Keshan disease and central nervous system disorders. Plants need Se to alleviate abiotic stresses, viz. high/low temperatures, drought, salinity, light, UV-B radiation and toxic metals/metalloids. Ameliorative role of Se, applied in relatively low doses, against abiotic stresses was mediated via enzymatic and non-enzymatic antioxidation. Chemical form, application method, edaphic presence and bioavailability of Se and its interaction with other elements regulate Se biofortification and abiotic stress tolerance in food and medicinal crops. Popular scientific search engines, viz. PubMed, Pubget, ScienceDirect, Medline, Scopus, SpringerLink, Mendeley, EMBASE, Google Scholar and JSTOR were searched to retrieve published articles by using pre-determined search strings involving “selenium”, “plants”, “stress”, “metals”, “metalloids”, etc. The retrieved literature encompasses the role of Se biofortification in enhancing dietary Se in crops and its bioavailability. The review also presents recent trends in Se-mediated amelioration of toxic metal and metalloid stresses via maintaining cell membrane integrity, functioning of photosynthetic machinery, inhibition against uptake and translocation of toxic metals and metalloids, control over the uptake and distribution of mineral nutrition and conversion of toxic metals and metalloids to non-toxic Se-metal complexes. Furthermore, current research on the genetic engineering and omics studies on Se biofortification and Se-mediated abiotic stress tolerance are also discussed. The present review comprehensively elucidates the beneficial role Se biofortification in developing resilience in crops against toxic metals and metalloids.

AbstractThe Schiff base ligand ((E)-6-methyl-2-(2,3,4-trimethoxybenzylideneamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile) and its cobalt(II) and palladium(II) complexes were successfully prepared. The structure of the compounds was elucidated by various techniques (NMR, FT-IR, powder X-ray diffraction, microanalysis, TGA, magnetic susceptibility, mass spectrometry). The Pd(II) complex showed a square planar geometry and the Co(II) complex had an octahedral geometry. ABTS (2,2-azino-bis 3-ethylbenzothiazloine-6-sulphonic acid), DPPH (1,1-diphenyl-2-picrylhydrazyl), FRAP (ferric-reducing antioxidant power) and CUPRAC (cupric reducing antioxidant capacity) in vitromethods were applied to identify the antioxidant features of the synthesized compounds. In addition, glutathione S-transferase and acetyl/butyryl cholinesterase enzymes were examined for possible inhibition capacities of the complexes. According to the enzyme activity measurements, Ru(II) complex inhibited both GST and BChE enzymes, while Fe(II) complex inhibited only AChE enzyme. Furthermore, the antioxidant activities and enzyme inhibitions of the previously synthesized Fe(II) and Ru(II) complexes of the same ligand were examined to make a comparison of the metal complexes.Communicated by Ramaswamy H. Sarma

Oxidative stress related diseases often arise from over production of free radicals and reactive oxygen/nitrogen species. The prevention of these diseases could be possible with the use of natural antioxidant plants that could be promising as therapeutic candidates. Since antioxidant properties of a species could be stem from phenolic compounds, it is, therefore, important to evaluate antioxidant and total/individual phenolic and flavonoid content. For this purpose, we evaluated antioxidant properties of ginger (Zingiber officinaleRosc.) based on three parameters: the antioxidant capacity, total phenolic and flavonoid content as well as identification of phenolic acids of water extract (WEG) and ethanol extract (EEG) of ginger. For antioxidant capacity, we performed FRAP, CUPRAC assay, Fe2+chelating ability, DPPH and DMPD radical scavenging activities. Also, total phenolic and flavonoid contents in both extracts were also measured via Folin Ciocalteu’s method. For identification of phenolic acids, HPLC-MS/MS method was performed. The results showed that EEG had generally better antioxidant activity than WEG in all assays. HPLC-MS/MS analysis showed that there are at least eight different phenolic acids found in ginger, among which pyrogallol p-hydroxybenzoic acid, ferulic acid and p-coumaric acid were more abundant in both extracts. This study clearly showed that ginger extracts demonstrated effective antioxidant properties and their consumption may reduce or delay the progression of diseases that oxidative stress take place due to lack of antioxidant supplementation.

AbstractThe antioxidant activities of ethanol and water extracts of Nepeta nudasubsp. lydiae leaves were determined by different in vitromethods such as; DPPH, ABTS, FRAP and CUPRAC assays. The results were compared to BHA, BHT and ascorbic acid as standard antioxidant compounds. Both water and ethanol extracts presented high antioxidant potential on DPPH free radical scavenging assay and CUPRAC assay. Also, both extracts presented low level on ABTS and FRAP assays. In conclusion, leaves of N. nudasubsp. lydiae have some potential of antioxidant activities, so it could be a useful source for food industry as a food ingredient after analyzing other biological properties.