A. R. Chaudhry, Muhanad Alhujaily, S. Muhammad, Gamal A. A. Elbadri, Tareg M Belali, A. Al‐Sehemi
{"title":"Insighting the optoelectronic, charge transfer and biological potential of benzo-thiadiazole and its derivatives","authors":"A. R. Chaudhry, Muhanad Alhujaily, S. Muhammad, Gamal A. A. Elbadri, Tareg M Belali, A. Al‐Sehemi","doi":"10.1515/znc-2021-0306","DOIUrl":"https://doi.org/10.1515/znc-2021-0306","url":null,"abstract":"Abstract The current investigation applies the dual approach containing quantum chemical and molecular docking techniques to explore the potential of benzothiadiazole (BTz) and its derivatives as efficient electronic and bioactive materials. The charge transport, electronic and optical properties of BTz derivatives are explored by quantum chemical techniques. The density functional theory (DFT) and time dependent DFT (TD-DFT) at B3LYP/6-31G** level of theory utilized to optimize BTz and newly designed ligands at the ground and first excited states, respectively. The heteroatoms substitution effects on different properties of 4,7-bis(4-methylthiophene-2yl) benzo[c] [1,2,5]thiadiazole (BTz2T) as initial compound are studied at molecular level. Additionally, we also study the possible inhibition potential of COVID-19 from benzothiadiazole (BTz) containing derivatives by implementing the grid based molecular docking methods. All the newly designed ligands docked with the main protease (MPRO:PDB ID 6LU7) protein of COVID-19 through molecular docking methods. The studied compounds showed strong binding affinities with the binding site of MPRO ranging from −6.9 to −7.4 kcal/mol. Furthermore, the pharmacokinetic properties of the ligands are also studied. The analysis of these results indicates that the studied ligands might be promising drug candidates as well as suitable for photovoltaic applications.","PeriodicalId":23894,"journal":{"name":"Zeitschrift für Naturforschung C","volume":"77 1","pages":"403 - 415"},"PeriodicalIF":0.0,"publicationDate":"2022-04-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83864791","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Cuiyun Zhao, Lin Jiang, Wenyan Li, Guang Wu, Jie Chen, Li-Hua Dong, Min Li, Wei Jiang, Ji-xiao Zhu, Yanxiang Gao, Qin-Ge Ma, G. Zhong, R. Wei
{"title":"Establishment and metabonomics analysis of nonalcoholic fatty liver disease model in golden hamster","authors":"Cuiyun Zhao, Lin Jiang, Wenyan Li, Guang Wu, Jie Chen, Li-Hua Dong, Min Li, Wei Jiang, Ji-xiao Zhu, Yanxiang Gao, Qin-Ge Ma, G. Zhong, R. Wei","doi":"10.1515/znc-2021-0201","DOIUrl":"https://doi.org/10.1515/znc-2021-0201","url":null,"abstract":"Abstract The aim is to establish a model of nonalcoholic fatty liver disease (NAFLD) caused by feeding with high-fat, high-fructose, and high-cholesterol diet (HFFCD) in golden hamsters, and to investigate the characteristics of the NAFLD model and metabolite changes of liver tissue. Golden hamsters were fed HFFCD or control diets for six weeks. Body weight, abdominal fat index, and liver index was assessed, serum parameters, hepatic histology, and liver metabolites were examined. The results showed that body weight, abdominal fat, and liver index of hamsters were significantly increased in the model group, the level of serum total cholesterol (TC), triglyceride (TG), and low density lipoprotein-cholesterol (LDL-C) were significantly increased in model group as well, and high density lipoprotein-cholesterol (HDL-C) was significantly decreased. In addition, lipid deposition in liver tissue formed fat vacuoles of different sizes. Metabonomics analysis of the liver showed that the metabolic pathways of sphingolipid, glycerophospholipids, and arginine biosynthesis were disordered in the NAFLD model. The modeling method is simple, short time, and uniform. It can simulate the early fatty liver caused by common dietary factors, and provides an ideal model for the study of the initial pathogenesis and therapeutic drugs for NAFLD.","PeriodicalId":23894,"journal":{"name":"Zeitschrift für Naturforschung C","volume":"29 1","pages":"197 - 206"},"PeriodicalIF":0.0,"publicationDate":"2022-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85739849","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Occurrence of Z-2-oxo-4-methyl-3-pentene-1,5-dioic acid and its regioisomer 4-methylene-2-oxo-glutaric acid in tulip tissues","authors":"Y. Kato, Taiji Nomura","doi":"10.1515/znc-2021-0282","DOIUrl":"https://doi.org/10.1515/znc-2021-0282","url":null,"abstract":"Abstract Although Z-2-oxo-4-methyl-3-pentene-1,5-dioic acid (Z-OMPD) has been identified as a major dicarboxylic acid in tulip tissues, its biosynthetic pathway has not been elucidated. Herein, Z-OMPD was isolated from tulip leaves and chemically synthesized. Comparisons of these samples revealed that Z-OMPD exists as a tautomeric mixture at physiological pH. As a regioisomer of Z-OMPD, we enzymatically and chemically prepared 4-methylene-2-oxo-glutaric acid (4-MEOG) for the first time. Using these compounds as standards, the occurrence of Z-OMPD and 4-MEOG in various tissues of the tulip cultivar “Murasakizuisho” was evaluated directly and by 2,4-dinitrophenylhydrazone derivatization. Z-OMPD was found to be abundant in the aerial tissues, whereas 4-MEOG was almost absent from all tissues. Stability analyses of Z-OMPD and 4-MEOG revealed that no double bond isomerization occurred at physiological pH, suggesting that enzyme systems are responsible for Z-OMPD biosynthesis in tulip tissues.","PeriodicalId":23894,"journal":{"name":"Zeitschrift für Naturforschung C","volume":"267 1","pages":"317 - 330"},"PeriodicalIF":0.0,"publicationDate":"2022-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73327441","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A new acylated flavone glycoside, in vitro antioxidant and antimicrobial activities from Saudi Diospyros mespiliformis Hochst. ex A. DC (Ebenaceae) leaves","authors":"U. Hawas, M. El-Ansari, Ali M. El-Hagrassi","doi":"10.1515/znc-2021-0291","DOIUrl":"https://doi.org/10.1515/znc-2021-0291","url":null,"abstract":"Abstract Phytochemical investigation of Diospyros mespiliformis leaves resulted in the isolation of new acylated flavone isoscutellarein 7-O-(4′′′-O-acetyl)-β-allopyranosyl(1′′′ → 2′′)-β-glucopyranoside (1), along with eight known flavonoid metabolites, luteolin 3′,4′,6,8-tetramethyl ether (2), luteolin 4′-O-β-neohesperidoside (3), luteolin 7-O-β-glucoside (4), luteolin (5), quercetin (6), quercetin 3-O-β-glucoside (7), quercetin 3-O-α-rhamnoside (8), and rutin (9). Their structures were identified by analysis of spectroscopic (UV, NMR, and MS) data, as well as by acid hydrolysis for the isolated glycosides. The antioxidant activity of D. mespiliformis metabolites was determined by the DPPH radical-scavenging assay. The new acylated flavone (1) and flavonol O-rhamnoside (8) displayed the highest antioxidant activities with IC50 values 15.46 and 12.32 μg/mL, respectively, with respect to the antioxidant ascorbic acid (IC50 value 10.62 μg/mL). In addition, the isolated flavonoids were evaluated against four human pathogenic bacteria where the methylated flavone (2) exhibited potent activity against Escherichia coli with inhibition zone 34 mm, and mild activity of flavonol O-rhamnoside (8) against Staphylococcus aureus with MIC value 9.77 μg/mL. According to the MBC/MIC ratio, the antibacterial activity of the isolated flavonoids was considered flavonoid 2 is bactericidal nature against S. aureus, and flavonoids 3 and 4 are bactericidal against E. coli.","PeriodicalId":23894,"journal":{"name":"Zeitschrift für Naturforschung C","volume":"199 1","pages":"387 - 393"},"PeriodicalIF":0.0,"publicationDate":"2022-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76940815","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A comparative analysis on the safety and efficacy of Covaxin versus other vaccines against COVID-19: a review","authors":"Abhijita Talukder, C. Kalita, Nayanika Neog, Chayanika Goswami, Mrinal Kashyap Sarma, Iswar Hazarika","doi":"10.1515/znc-2021-0301","DOIUrl":"https://doi.org/10.1515/znc-2021-0301","url":null,"abstract":"Abstract Since the identification of the genomic sequence of SARS-CoV-2, an unprecedented effort is being made until this date for the development of a safe and effective vaccine by pharma companies and laboratories worldwide. To attain herd immunity and quite possibly recover from this pandemic, which has claimed the life of about 4.23 million people, an exceptional effort has been made by the scientific community for the development of a vaccine. Various vaccines have been developed based on different platforms and each of them seems to possess its own merits and demerits based on its safety, immunogenicity, the durability of immunity, dosing schedule, technological platform, and ease of manufacture and transport. Based on these parameters this review aims to critically assess the efficacy of Covaxin and compare it with other vaccines in the WHO EUL list and perform a comparative analysis of COVID-19 vaccines which are in phase 3 and phase 4 of clinical trials. This will help us determine where COVAXIN stands against other vaccines and vaccine candidates based on these parameters which will ultimately help us determine the best vaccine that could potentially eradicate the COVID-19 pandemic.","PeriodicalId":23894,"journal":{"name":"Zeitschrift für Naturforschung C","volume":"59 1","pages":"351 - 362"},"PeriodicalIF":0.0,"publicationDate":"2022-03-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79923271","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Combatting persisted and biofilm antimicrobial resistant bacterial by using nanoparticles","authors":"H. Hemeg","doi":"10.1515/znc-2021-0296","DOIUrl":"https://doi.org/10.1515/znc-2021-0296","url":null,"abstract":"Abstract Some bacteria can withstand the existence of an antibiotic without undergoing any genetic changes. They are neither cysts nor spores and are one of the causes of disease recurrence, accounting for about 1% of the biofilm. There are numerous approaches to eradication and combating biofilm-forming organisms. Nanotechnology is one of them, and it has shown promising results against persister cells. In the review, we go over the persister cell and biofilm in extensive detail. This includes the biofilm formation cycle, antibiotic resistance, and treatment with various nanoparticles. Furthermore, the gene-level mechanism of persister cell formation and its therapeutic interventions with nanoparticles were discussed.","PeriodicalId":23894,"journal":{"name":"Zeitschrift für Naturforschung C","volume":"3 1","pages":"365 - 378"},"PeriodicalIF":0.0,"publicationDate":"2022-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91265095","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Paniz Zinsaz, Hoda Jafarizadeh-Malmiri, N. Anarjan, A. Nekoueifard, A. Javadi
{"title":"Biogenic synthesis of gold nanoparticles using Artemia urumiana extract and five different thermal accelerated techniques: fabrication and characterization","authors":"Paniz Zinsaz, Hoda Jafarizadeh-Malmiri, N. Anarjan, A. Nekoueifard, A. Javadi","doi":"10.1515/znc-2021-0323","DOIUrl":"https://doi.org/10.1515/znc-2021-0323","url":null,"abstract":"Abstract Artemia urumiana is bisexual population of the Lake Urmia of Iran. Its biomass was freeze dried and using its lyophilized powder, hydro-alcoholic extract was prepared and utilized in gold nanoparticles (Au NPs) synthesis. Six different Au NPs fabrication methods namely: microwave heating, hydrothermal, ultraviolet (UV) irradiation, ultrasonication, common heating using conventional heating, and self-assembling were utilized for Au NPs synthesis using A. urumiana extract. Gas chromatography analysis indicated that the prepared extract were contained numerous fatty acid methyl esters such as Hexadecanoic acid methyl ester. Results indicated that the formed NPs using heater and stirrer, and UV irradiation had minimum particle size of 25 and 94 nm, respectively. However, as compared to the formed Au NPs using heater and stirrer technique, UV irradiation fabricated Au NPs with high zeta potential value of −32.5 mV and small polydispersity value of 0.310. Results also demonstrated that the synthesized Au NPs using heater and stirrers, and UV irradiation had highest antioxidant activities of 13.7 and 11.9%, and bactericidal effects against Escherichia coli and Staphylococcus aurous bacteria strains, as compared to other fabricated Au NPs using other methods. There were insignificant (p > 0.05) differences between these two attributes of the formed Au NPs.","PeriodicalId":23894,"journal":{"name":"Zeitschrift für Naturforschung C","volume":"3 4","pages":"395 - 402"},"PeriodicalIF":0.0,"publicationDate":"2022-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91416461","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Fatemeh Yousefbeyk, Ghazaleh Hemmati, Ziba Gholipour, Saeed Ghasemi, Mehdi Evazalipour, Clara Schubert, D. E. Koohi, V. Böhm
{"title":"Phytochemical analysis, antioxidant, cytotoxic, and antimicrobial activities of golden chamomile (Matricaria aurea (Loefl.) Schultz Bip)","authors":"Fatemeh Yousefbeyk, Ghazaleh Hemmati, Ziba Gholipour, Saeed Ghasemi, Mehdi Evazalipour, Clara Schubert, D. E. Koohi, V. Böhm","doi":"10.1515/znc-2021-0269","DOIUrl":"https://doi.org/10.1515/znc-2021-0269","url":null,"abstract":"Abstract Matricaria aurea (Loefl.) Schultz Bip. (Asteraceae), known as golden chamomile, has been traditionally used for the treatment of various diseases. In this study, total phenolic, flavonoid, and tannin contents of total extract and different fractions of this plant were determined. The antioxidant, cytotoxic, and antimicrobial activities were also evaluated. Moreover, the phenolic profiles of selected fractions were determined by HPLC and LC-MS/MS analysis. Results demonstrated total phenolic contents of 37.8–57.2 mg GAE/g and total flavonoid contents of 3.0–111.2 mg QE/g. The ethyl acetate and methanol fractions (EF and MF) had the highest concentrations of phenolic, tannin, and flavonoid compounds. In both DPPH radical scavenging assay and phosphomolybdenum reduction assay, EF showed the best antioxidant activity, followed by MF. EF and MF indicated also the best antibacterial activities against Bacillus subtilis (MIC 1.56 and 12.5 mg ml−1) and Staphylococcus aureus (MIC 0.78 and 12.5 mg ml−1). Hexane fraction (HF) had no antibacterial effect. None of the samples had antifungal effect. MTT (3-(4,5-dimethyl-thiazol-2-yl)-2,5-diphenyltetrazolium bromide) assay revealed for EF and HF the highest antiproliferative activities (IC50 values ranged from 111.8 to 294.6 μg ml−1). The presence of chlorogenic acid, ferulic acid, and luteolin-7-O-glucoside in MF, and p-coumaric acid in EF was confirmed and quantified.","PeriodicalId":23894,"journal":{"name":"Zeitschrift für Naturforschung C","volume":"30 1","pages":"331 - 342"},"PeriodicalIF":0.0,"publicationDate":"2022-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73502351","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Scopoletin: a review of its source, biosynthesis, methods of extraction, and pharmacological activities","authors":"L. Antika, A. Tasfiyati, H. Hikmat, A. Septama","doi":"10.1515/znc-2021-0193","DOIUrl":"https://doi.org/10.1515/znc-2021-0193","url":null,"abstract":"Abstract Scopoletin, also known as 6-methoxy-7 hydroxycoumarin, is one of the naturally occurring coumarin commonly found in many edible plants and plays an important role in human health. Despite the various potential pharmacological properties, the biosynthesis process, method of extraction, and mechanism of action on this compound have not been documented well. In this current review, the biosynthesis pathway, distribution of scopoletin in the plant kingdom, and extraction techniques are elaborated. The in vitro, in vivo, and in silico pharmacological studies are also discussed on antioxidant, antimicrobial, anticancer, anti-inflammation, and neuroprotective aspects of scopoletin. This study may help to understand the benefit of scopoletin containing plants and would be beneficial for the prevention and treatment of diseases.","PeriodicalId":23894,"journal":{"name":"Zeitschrift für Naturforschung C","volume":"13 1","pages":"303 - 316"},"PeriodicalIF":0.0,"publicationDate":"2022-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85065801","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
K. Boyanov, Mariya Choneva, I. Dimov, I. Dimitrov, T. Vlaykova, F. Gerginska, S. Delchev, P. Hrischev, K. Georgieva, A. Bivolarska
{"title":"Effect of oligosaccharides on the antioxidant, lipid and inflammatory profiles of rats with streptozotocin-induced diabetes mellitus","authors":"K. Boyanov, Mariya Choneva, I. Dimov, I. Dimitrov, T. Vlaykova, F. Gerginska, S. Delchev, P. Hrischev, K. Georgieva, A. Bivolarska","doi":"10.1515/znc-2021-0215","DOIUrl":"https://doi.org/10.1515/znc-2021-0215","url":null,"abstract":"Abstract Prebiotics, gut microbiota-fermentable substances, delay the development of type I diabetes. In the present study, we investigated the effect of two prebiotics (galacto-oligosaccharides and xylo-oligosaccharides) on the antioxidant protection, lipid profile, and inflammatory activity of rats with streptozotocin-induced diabetes. The following markers were studied – malondialdehyde, 8-hydroxy-2′-deoxyguanosine, ferric reducing ability of plasma (FRAP), triacylglycerols, total cholesterol (TC), high-density lipoproteins, C-reactive protein (CRP), and interleukin-6. Diabetes was induced in male Wistar experimental rats by streptozotocin injection, while the non-diabetic controls were injected with saline. Afterward the oligosaccharides were administered orally to the experimental animals. The blood collected following the decapitation was analyzed by ELISA. A modified protocol was used only for measuring the FRAP values. The galacto-oligosaccharides and xylo-oligosaccharides lowered the malondialdehyde levels in the diabetic rats (p < 0.05). The galacto-oligosaccharides decreased the serum levels of 8-hydroxy-2′-deoxyguanosine (p = 0.01), while the xylo-oligosaccharides increased the FRAP (p < 0.05) in the experimental animals. None of the oligosaccharides affected triacylglycerol and interleukin-6 concentrations, but the galacto-oligosaccharides decreased the TC and CRP levels in the diabetic animals. Both oligosaccharides exert a beneficial effect on the antioxidant protection of the diabetic rats, but have a minor effect on their lipid and inflammatory profiles.","PeriodicalId":23894,"journal":{"name":"Zeitschrift für Naturforschung C","volume":"162 1","pages":"379 - 386"},"PeriodicalIF":0.0,"publicationDate":"2022-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86315751","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}